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Showing metabocard for Folic acid (HMDB0000121)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (16)transporters (7) Show 23 proteinsXML
enzymes (16)transporters (7) Show 23 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:48:59 UTC
HMDB IDHMDB0000121
Secondary Accession Numbers
  • HMDB00121
Metabolite Identification
Common NameFolic acid
DescriptionFolic acid or folate, is a vitamin that belongs to the class of compounds known as pterins. Chemically, folate consists of three distinct chemical moieties linked together. A pterin (2-amino-4-hydroxy-pteridine) linked by a methylene bridge to a p-aminobenzoyl group that in turn is linked through an amide linkage to glutamic acid. It is a member of the vitamin B family and is primarily known as vitamin B9. Folate is required for the body to make DNA and RNA and metabolize amino acids necessary for cell division for the hematopoietic system. As humans cannot make folate, it is required in the diet, making it an essential nutrient (i.e. a vitamin). Folate occurs naturally in many foods including mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid, being biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by the enzyme known as dihydrofolate reductase. Tetrahydrofolate and methyltetrahydrofolate are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids and generate formic acid. Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. Folic acid is also used as a supplement by women during pregnancy to reduce the risk of neural tube defects (NTDs) in babies. Low levels in early pregnancy are believed to be the cause of more than half of babies born with NTDs (PMID: 28097362 ). Folic acid is also a microbial metabolite produced by Bifidobacterium and Lactobacillus (PMID: 22254078 ).
Structure
Data?1582752112
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000121 (Folic acid)

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000121 (Folic acid)

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END
Download

3D SDF for HMDB0000121 (Folic acid)

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000121

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

> <INCHI_KEY>
OVBPIULPVIDEAO-LBPRGKRZSA-N

> <FORMULA>
C19H19N7O6

> <MOLECULAR_WEIGHT>
441.3975

> <EXACT_MASS>
441.139681375

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
42.056565993428265

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-0.682200202289524

> <ALOGPS_LOGS>
-3.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.173198454797142

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3738517754186743

> <JCHEM_PKA_STRONGEST_BASIC>
2.086519926687477

> <JCHEM_POLAR_SURFACE_AREA>
208.99000000000004

> <JCHEM_REFRACTIVITY>
111.01120000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
folate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000121 (Folic acid)

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END
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PDB for HMDB0000121 (Folic acid)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 158                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      24.005   0.427   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      18.664   1.946   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      22.680  -1.888   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      23.987   5.047   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      21.320   5.036   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       6.574  -0.427   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      20.007  -0.359   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      13.347  -2.694   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       9.285  -1.913   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       6.574  -5.047   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       9.285  -5.100   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.241  -2.737   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       3.907  -5.047   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      21.338   0.416   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.332   1.956   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.662   2.732   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.670   0.406   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.339  -0.369   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.674  -0.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.678  -1.919   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.011  -1.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.345  -1.909   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.003   0.396   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.015  -2.684   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.672  -0.379   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.680  -2.705   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      22.656   4.271   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.908  -2.737   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.908  -4.277   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.680  -4.309   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.574  -1.967   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.241  -4.277   0.000  0.00  0.00           C+0
CONECT    1   19                                                            
CONECT    2   17                                                            
CONECT    3   19                                                            
CONECT    4   27                                                            
CONECT    5   27                                                            
CONECT    6   31                                                            
CONECT    7   14   17                                                       
CONECT    8   20   21                                                       
CONECT    9   26   28                                                       
CONECT   10   29   32                                                       
CONECT   11   29   30                                                       
CONECT   12   31   32                                                       
CONECT   13   32                                                            
CONECT   14    7   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   27                                                       
CONECT   17    2    7   18                                                  
CONECT   18   17   22   23                                                  
CONECT   19    1    3   14                                                  
CONECT   20    8   24   25                                                  
CONECT   21    8   26                                                       
CONECT   22   18   24                                                       
CONECT   23   18   25                                                       
CONECT   24   20   22                                                       
CONECT   25   20   23                                                       
CONECT   26    9   21   30                                                  
CONECT   27    4    5   16                                                  
CONECT   28    9   29   31                                                  
CONECT   29   10   11   28                                                  
CONECT   30   11   26                                                       
CONECT   31    6   12   28                                                  
CONECT   32   10   12   13                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END
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3D PDB for HMDB0000121 (Folic acid)

COMPND    HMDB0000121
HETATM    1  N1  UNL     1      10.412  -1.454   0.427  1.00  0.00           N  
HETATM    2  C1  UNL     1       9.024  -1.249   0.253  1.00  0.00           C  
HETATM    3  N2  UNL     1       8.188  -2.317   0.072  1.00  0.00           N  
HETATM    4  C2  UNL     1       6.871  -2.142  -0.096  1.00  0.00           C  
HETATM    5  O1  UNL     1       6.106  -3.117  -0.262  1.00  0.00           O  
HETATM    6  C3  UNL     1       6.304  -0.878  -0.093  1.00  0.00           C  
HETATM    7  N3  UNL     1       4.992  -0.679  -0.261  1.00  0.00           N  
HETATM    8  C4  UNL     1       4.493   0.588  -0.250  1.00  0.00           C  
HETATM    9  C5  UNL     1       3.013   0.787  -0.464  1.00  0.00           C  
HETATM   10  N4  UNL     1       2.246   0.425   0.692  1.00  0.00           N  
HETATM   11  C6  UNL     1       0.831   0.402   0.617  1.00  0.00           C  
HETATM   12  C7  UNL     1       0.042   0.009   1.674  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.326  -0.029   1.569  1.00  0.00           C  
HETATM   14  C9  UNL     1      -1.997   0.324   0.388  1.00  0.00           C  
HETATM   15  C10 UNL     1      -3.450   0.245   0.325  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.045  -0.450   1.175  1.00  0.00           O  
HETATM   17  N5  UNL     1      -4.153   0.934  -0.670  1.00  0.00           N  
HETATM   18  C11 UNL     1      -5.624   0.839  -0.715  1.00  0.00           C  
HETATM   19  C12 UNL     1      -5.920  -0.549  -1.139  1.00  0.00           C  
HETATM   20  C13 UNL     1      -7.318  -1.007  -1.231  1.00  0.00           C  
HETATM   21  C14 UNL     1      -8.000  -1.122   0.052  1.00  0.00           C  
HETATM   22  O3  UNL     1      -7.398  -1.002   1.136  1.00  0.00           O  
HETATM   23  O4  UNL     1      -9.378  -1.376   0.052  1.00  0.00           O  
HETATM   24  C15 UNL     1      -6.194   1.388   0.488  1.00  0.00           C  
HETATM   25  O5  UNL     1      -5.564   1.544   1.545  1.00  0.00           O  
HETATM   26  O6  UNL     1      -7.548   1.790   0.487  1.00  0.00           O  
HETATM   27  C16 UNL     1      -1.201   0.716  -0.662  1.00  0.00           C  
HETATM   28  C17 UNL     1       0.187   0.758  -0.559  1.00  0.00           C  
HETATM   29  C18 UNL     1       5.336   1.659  -0.066  1.00  0.00           C  
HETATM   30  N6  UNL     1       6.653   1.471   0.104  1.00  0.00           N  
HETATM   31  C19 UNL     1       7.138   0.205   0.090  1.00  0.00           C  
HETATM   32  N7  UNL     1       8.454  -0.037   0.253  1.00  0.00           N  
HETATM   33  H1  UNL     1      10.782  -1.683   1.357  1.00  0.00           H  
HETATM   34  H2  UNL     1      11.046  -1.374  -0.382  1.00  0.00           H  
HETATM   35  H3  UNL     1       2.783   0.139  -1.363  1.00  0.00           H  
HETATM   36  H4  UNL     1       2.808   1.833  -0.774  1.00  0.00           H  
HETATM   37  H5  UNL     1       2.724   0.186   1.574  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.542  -0.259   2.580  1.00  0.00           H  
HETATM   39  H7  UNL     1      -1.931  -0.331   2.386  1.00  0.00           H  
HETATM   40  H8  UNL     1      -3.628   1.511  -1.381  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.877   1.560  -1.599  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.278  -1.261  -0.558  1.00  0.00           H  
HETATM   43  H11 UNL     1      -5.470  -0.637  -2.198  1.00  0.00           H  
HETATM   44  H12 UNL     1      -7.925  -0.319  -1.898  1.00  0.00           H  
HETATM   45  H13 UNL     1      -7.336  -1.999  -1.776  1.00  0.00           H  
HETATM   46  H14 UNL     1      -9.718  -2.335  -0.070  1.00  0.00           H  
HETATM   47  H15 UNL     1      -7.764   2.767   0.588  1.00  0.00           H  
HETATM   48  H16 UNL     1      -1.680   0.996  -1.583  1.00  0.00           H  
HETATM   49  H17 UNL     1       0.779   1.074  -1.410  1.00  0.00           H  
HETATM   50  H18 UNL     1       4.893   2.657  -0.063  1.00  0.00           H  
HETATM   51  H19 UNL     1       9.075   0.797   0.392  1.00  0.00           H  
CONECT    1    2   33   34
CONECT    2    3    3   32
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   31
CONECT    7    8
CONECT    8    9   29   29
CONECT    9   10   35   36
CONECT   10   11   37
CONECT   11   12   12   28
CONECT   12   13   38
CONECT   13   14   14   39
CONECT   14   15   27
CONECT   15   16   16   17
CONECT   17   18   40
CONECT   18   19   24   41
CONECT   19   20   42   43
CONECT   20   21   44   45
CONECT   21   22   22   23
CONECT   23   46
CONECT   24   25   25   26
CONECT   26   47
CONECT   27   28   28   48
CONECT   28   49
CONECT   29   30   50
CONECT   30   31   31
CONECT   31   32
CONECT   32   51
END
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SMILES for HMDB0000121 (Folic acid)

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1
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INCHI for HMDB0000121 (Folic acid)

InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
FolateChEBI
FolsaeureChEBI
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acidChEBI
N-Pteroyl-L-glutamic acidChEBI
PGAChEBI
PteGluChEBI
Pteroyl-L-glutamic acidChEBI
Pteroyl-L-monoglutamic acidChEBI
Pteroylglutamic acidChEBI
Vitamin BCChEBI
Vitamin mChEBI
FolicetKegg
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamateGenerator
N-Pteroyl-L-glutamateGenerator
Pteroyl-L-glutamateGenerator
Pteroyl-L-monoglutamateGenerator
PteroylglutamateGenerator
AcifolicHMDB
CytofolHMDB
Dosfolat b activHMDB
FolacidHMDB
FolacinHMDB
FolbalHMDB
FolcidinHMDB
FoldineHMDB
FolettesHMDB
FoliaminHMDB
FolipacHMDB
FolsanHMDB
FolsaureHMDB
FolsavHMDB
FolviteHMDB
IncafolicHMDB
Liver lactobacillus casei factorHMDB
MillafolHMDB
N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acidHMDB
N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acidHMDB
Pteroylmonoglutamic acidHMDB
Vitamin beHMDB
Folic acid, (DL)-isomerHMDB
Folic acid, sodium saltHMDB
Folic acid, (D)-isomerHMDB
Folic acid, monosodium saltHMDB
Folic acid, potassium saltHMDB
b9, VitaminHMDB
Folic acid, calcium salt (1:1)HMDB
Folic acid, monopotassium saltHMDB
Vitamin b9HMDB
Chemical FormulaC19H19N7O6
Average Molecular Weight441.3975
Monoisotopic Molecular Weight441.139681375
IUPAC Name(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
Traditional Namefolate
CAS Registry Number59-30-3
SMILES
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1
InChI Identifier
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
InChI KeyOVBPIULPVIDEAO-LBPRGKRZSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative Parents
Substituents
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point250 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.0016 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_test_neg189.430932474
[M-H]-Astarita_neg188.330932474
[M+H]+MetCCS_test_pos195.46530932474
[M-H]-Not Available189.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00000073
[M+H]+Not Available195.5http://allccs.zhulab.cn/database/detail?ID=AllCCS00000073
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.076 g/LALOGPS
logP-0.04ALOGPS
logP-0.68ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
pKa (Strongest Basic)2.09ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area208.99 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity111.01 m³·mol⁻¹ChemAxon
Polarizability42.06 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+200.65531661259
DarkChem[M-H]-193.61431661259
AllCCS[M+H]+196.6332859911
AllCCS[M-H]-194.75232859911
DeepCCS[M+H]+194.92230932474
DeepCCS[M-H]-192.52730932474
DeepCCS[M-2H]-225.4130932474
DeepCCS[M+Na]+200.94130932474
AllCCS[M+H]+196.632859911
AllCCS[M+H-H2O]+194.632859911
AllCCS[M+NH4]+198.532859911
AllCCS[M+Na]+199.032859911
AllCCS[M-H]-194.832859911
AllCCS[M+Na-2H]-195.132859911
AllCCS[M+HCOO]-195.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Folic acidNC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N14916.8Standard polar33892256
Folic acidNC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N13415.6Standard non polar33892256
Folic acidNC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N15052.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Folic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O4524.5Semi standard non polar33892256
Folic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C14514.5Semi standard non polar33892256
Folic acid,1TMS,isomer #3C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]14626.5Semi standard non polar33892256
Folic acid,1TMS,isomer #4C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14557.7Semi standard non polar33892256
Folic acid,1TMS,isomer #5C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4467.2Semi standard non polar33892256
Folic acid,1TMS,isomer #6C[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C214553.7Semi standard non polar33892256
Folic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C4341.2Semi standard non polar33892256
Folic acid,2TMS,isomer #10C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C4396.5Semi standard non polar33892256
Folic acid,2TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]14490.3Semi standard non polar33892256
Folic acid,2TMS,isomer #12C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]14405.8Semi standard non polar33892256
Folic acid,2TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C4508.4Semi standard non polar33892256
Folic acid,2TMS,isomer #14C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14398.9Semi standard non polar33892256
Folic acid,2TMS,isomer #15C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14273.4Semi standard non polar33892256
Folic acid,2TMS,isomer #16C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4333.0Semi standard non polar33892256
Folic acid,2TMS,isomer #2C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2[NH]14425.8Semi standard non polar33892256
Folic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4260.6Semi standard non polar33892256
Folic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O4322.3Semi standard non polar33892256
Folic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O4379.1Semi standard non polar33892256
Folic acid,2TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]14432.4Semi standard non polar33892256
Folic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4306.3Semi standard non polar33892256
Folic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C14314.4Semi standard non polar33892256
Folic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C14393.0Semi standard non polar33892256
Folic acid,3TMS,isomer #1C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]14320.0Semi standard non polar33892256
Folic acid,3TMS,isomer #1C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]14120.0Standard non polar33892256
Folic acid,3TMS,isomer #1C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]16383.3Standard polar33892256
Folic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4181.8Semi standard non polar33892256
Folic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C3985.9Standard non polar33892256
Folic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C6496.6Standard polar33892256
Folic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O4182.7Semi standard non polar33892256
Folic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O4031.3Standard non polar33892256
Folic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O6418.2Standard polar33892256
Folic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C14245.8Semi standard non polar33892256
Folic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C14254.5Standard non polar33892256
Folic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C16252.8Standard polar33892256
Folic acid,3TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14277.8Semi standard non polar33892256
Folic acid,3TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14120.2Standard non polar33892256
Folic acid,3TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]16238.2Standard polar33892256
Folic acid,3TMS,isomer #14C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]14275.3Semi standard non polar33892256
Folic acid,3TMS,isomer #14C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]14103.8Standard non polar33892256
Folic acid,3TMS,isomer #14C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]16361.4Standard polar33892256
Folic acid,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4366.3Semi standard non polar33892256
Folic acid,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4154.3Standard non polar33892256
Folic acid,3TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C6295.9Standard polar33892256
Folic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4111.7Semi standard non polar33892256
Folic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C3975.8Standard non polar33892256
Folic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C6170.6Standard polar33892256
Folic acid,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4214.1Semi standard non polar33892256
Folic acid,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C3941.7Standard non polar33892256
Folic acid,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C6449.3Standard polar33892256
Folic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C14182.0Semi standard non polar33892256
Folic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C13973.1Standard non polar33892256
Folic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C16334.3Standard polar33892256
Folic acid,3TMS,isomer #19C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14289.8Semi standard non polar33892256
Folic acid,3TMS,isomer #19C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14328.8Standard non polar33892256
Folic acid,3TMS,isomer #19C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C16186.2Standard polar33892256
Folic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4182.5Semi standard non polar33892256
Folic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C3967.5Standard non polar33892256
Folic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C6341.9Standard polar33892256
Folic acid,3TMS,isomer #20C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4204.0Semi standard non polar33892256
Folic acid,3TMS,isomer #20C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4276.5Standard non polar33892256
Folic acid,3TMS,isomer #20C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O6281.7Standard polar33892256
Folic acid,3TMS,isomer #21C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C4380.1Semi standard non polar33892256
Folic acid,3TMS,isomer #21C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C4357.6Standard non polar33892256
Folic acid,3TMS,isomer #21C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C6285.5Standard polar33892256
Folic acid,3TMS,isomer #22C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14227.3Semi standard non polar33892256
Folic acid,3TMS,isomer #22C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14158.6Standard non polar33892256
Folic acid,3TMS,isomer #22C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]16249.5Standard polar33892256
Folic acid,3TMS,isomer #23C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4338.8Semi standard non polar33892256
Folic acid,3TMS,isomer #23C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4232.4Standard non polar33892256
Folic acid,3TMS,isomer #23C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C6214.4Standard polar33892256
Folic acid,3TMS,isomer #24C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4305.8Semi standard non polar33892256
Folic acid,3TMS,isomer #24C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4191.4Standard non polar33892256
Folic acid,3TMS,isomer #24C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C6316.3Standard polar33892256
Folic acid,3TMS,isomer #25C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14143.8Semi standard non polar33892256
Folic acid,3TMS,isomer #25C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14018.2Standard non polar33892256
Folic acid,3TMS,isomer #25C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C16330.4Standard polar33892256
Folic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4157.2Semi standard non polar33892256
Folic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3979.2Standard non polar33892256
Folic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C6238.8Standard polar33892256
Folic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4247.3Semi standard non polar33892256
Folic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3959.7Standard non polar33892256
Folic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C6505.9Standard polar33892256
Folic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O4253.1Semi standard non polar33892256
Folic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O4328.6Standard non polar33892256
Folic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O6337.9Standard polar33892256
Folic acid,3TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]14271.4Semi standard non polar33892256
Folic acid,3TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]14181.6Standard non polar33892256
Folic acid,3TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]16319.6Standard polar33892256
Folic acid,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]14252.9Semi standard non polar33892256
Folic acid,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]14147.9Standard non polar33892256
Folic acid,3TMS,isomer #7C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]16409.6Standard polar33892256
Folic acid,3TMS,isomer #8C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C4353.6Semi standard non polar33892256
Folic acid,3TMS,isomer #8C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C4221.3Standard non polar33892256
Folic acid,3TMS,isomer #8C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C6376.8Standard polar33892256
Folic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4086.6Semi standard non polar33892256
Folic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4024.4Standard non polar33892256
Folic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C6216.7Standard polar33892256
Folic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C4213.3Semi standard non polar33892256
Folic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C4124.3Standard non polar33892256
Folic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C5841.5Standard polar33892256
Folic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O4270.5Semi standard non polar33892256
Folic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O4231.0Standard non polar33892256
Folic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O5857.7Standard polar33892256
Folic acid,4TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14100.9Semi standard non polar33892256
Folic acid,4TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14005.3Standard non polar33892256
Folic acid,4TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]15859.2Standard polar33892256
Folic acid,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4190.7Semi standard non polar33892256
Folic acid,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4043.5Standard non polar33892256
Folic acid,4TMS,isomer #12C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5821.3Standard polar33892256
Folic acid,4TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4189.2Semi standard non polar33892256
Folic acid,4TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4054.0Standard non polar33892256
Folic acid,4TMS,isomer #13C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C5919.5Standard polar33892256
Folic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4011.2Semi standard non polar33892256
Folic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3879.2Standard non polar33892256
Folic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C6033.8Standard polar33892256
Folic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4139.9Semi standard non polar33892256
Folic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4147.9Standard non polar33892256
Folic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C5831.1Standard polar33892256
Folic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C14143.0Semi standard non polar33892256
Folic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C14142.0Standard non polar33892256
Folic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C15713.8Standard polar33892256
Folic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C14264.5Semi standard non polar33892256
Folic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C14182.7Standard non polar33892256
Folic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C15792.7Standard polar33892256
Folic acid,4TMS,isomer #18C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14117.7Semi standard non polar33892256
Folic acid,4TMS,isomer #18C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]13977.4Standard non polar33892256
Folic acid,4TMS,isomer #18C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]15823.4Standard polar33892256
Folic acid,4TMS,isomer #19C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4197.1Semi standard non polar33892256
Folic acid,4TMS,isomer #19C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4005.7Standard non polar33892256
Folic acid,4TMS,isomer #19C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5760.7Standard polar33892256
Folic acid,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14185.2Semi standard non polar33892256
Folic acid,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]13949.2Standard non polar33892256
Folic acid,4TMS,isomer #2C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]15841.1Standard polar33892256
Folic acid,4TMS,isomer #20C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4203.9Semi standard non polar33892256
Folic acid,4TMS,isomer #20C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4023.0Standard non polar33892256
Folic acid,4TMS,isomer #20C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C5885.6Standard polar33892256
Folic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4033.3Semi standard non polar33892256
Folic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3855.1Standard non polar33892256
Folic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C5996.8Standard polar33892256
Folic acid,4TMS,isomer #22C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14251.4Semi standard non polar33892256
Folic acid,4TMS,isomer #22C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14250.9Standard non polar33892256
Folic acid,4TMS,isomer #22C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C15708.9Standard polar33892256
Folic acid,4TMS,isomer #23C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14118.6Semi standard non polar33892256
Folic acid,4TMS,isomer #23C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14195.9Standard non polar33892256
Folic acid,4TMS,isomer #23C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C15727.8Standard polar33892256
Folic acid,4TMS,isomer #24C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4196.5Semi standard non polar33892256
Folic acid,4TMS,isomer #24C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4229.0Standard non polar33892256
Folic acid,4TMS,isomer #24C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O5814.8Standard polar33892256
Folic acid,4TMS,isomer #25C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4126.9Semi standard non polar33892256
Folic acid,4TMS,isomer #25C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4061.4Standard non polar33892256
Folic acid,4TMS,isomer #25C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5770.0Standard polar33892256
Folic acid,4TMS,isomer #3C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]14193.2Semi standard non polar33892256
Folic acid,4TMS,isomer #3C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]13978.8Standard non polar33892256
Folic acid,4TMS,isomer #3C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]15943.1Standard polar33892256
Folic acid,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4263.4Semi standard non polar33892256
Folic acid,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4005.8Standard non polar33892256
Folic acid,4TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C5890.1Standard polar33892256
Folic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4040.7Semi standard non polar33892256
Folic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C3855.4Standard non polar33892256
Folic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C5894.6Standard polar33892256
Folic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4127.5Semi standard non polar33892256
Folic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C3825.1Standard non polar33892256
Folic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C6165.9Standard polar33892256
Folic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4087.1Semi standard non polar33892256
Folic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3826.6Standard non polar33892256
Folic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C6058.6Standard polar33892256
Folic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4125.7Semi standard non polar33892256
Folic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4176.1Standard non polar33892256
Folic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C5868.5Standard polar33892256
Folic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O4146.7Semi standard non polar33892256
Folic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O4184.5Standard non polar33892256
Folic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O5778.4Standard polar33892256
Folic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4119.1Semi standard non polar33892256
Folic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C4039.5Standard non polar33892256
Folic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C5456.0Standard polar33892256
Folic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O4160.4Semi standard non polar33892256
Folic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O4094.2Standard non polar33892256
Folic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O5348.6Standard polar33892256
Folic acid,5TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4065.5Semi standard non polar33892256
Folic acid,5TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C3937.0Standard non polar33892256
Folic acid,5TMS,isomer #11C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5423.9Standard polar33892256
Folic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4060.3Semi standard non polar33892256
Folic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4042.7Standard non polar33892256
Folic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C5348.7Standard polar33892256
Folic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4145.1Semi standard non polar33892256
Folic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4096.3Standard non polar33892256
Folic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C5428.7Standard polar33892256
Folic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C14145.3Semi standard non polar33892256
Folic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C14071.7Standard non polar33892256
Folic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C15301.5Standard polar33892256
Folic acid,5TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4077.0Semi standard non polar33892256
Folic acid,5TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C3920.9Standard non polar33892256
Folic acid,5TMS,isomer #15C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5394.1Standard polar33892256
Folic acid,5TMS,isomer #16C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14115.9Semi standard non polar33892256
Folic acid,5TMS,isomer #16C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C14136.0Standard non polar33892256
Folic acid,5TMS,isomer #16C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C15334.0Standard polar33892256
Folic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4123.1Semi standard non polar33892256
Folic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3997.2Standard non polar33892256
Folic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C5343.6Standard polar33892256
Folic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4217.0Semi standard non polar33892256
Folic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4065.6Standard non polar33892256
Folic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C5413.9Standard polar33892256
Folic acid,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]14080.3Semi standard non polar33892256
Folic acid,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]13861.3Standard non polar33892256
Folic acid,5TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]15442.1Standard polar33892256
Folic acid,5TMS,isomer #5C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4126.5Semi standard non polar33892256
Folic acid,5TMS,isomer #5C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C3870.7Standard non polar33892256
Folic acid,5TMS,isomer #5C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5384.7Standard polar33892256
Folic acid,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C4161.3Semi standard non polar33892256
Folic acid,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C3915.0Standard non polar33892256
Folic acid,5TMS,isomer #6C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C5507.3Standard polar33892256
Folic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3993.7Semi standard non polar33892256
Folic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C3748.0Standard non polar33892256
Folic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C5763.2Standard polar33892256
Folic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4044.0Semi standard non polar33892256
Folic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4061.4Standard non polar33892256
Folic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C5378.5Standard polar33892256
Folic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4143.4Semi standard non polar33892256
Folic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4121.5Standard non polar33892256
Folic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C5457.6Standard polar33892256
Folic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C4050.3Semi standard non polar33892256
Folic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C3925.7Standard non polar33892256
Folic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C5012.4Standard polar33892256
Folic acid,6TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4140.3Semi standard non polar33892256
Folic acid,6TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C4002.5Standard non polar33892256
Folic acid,6TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C5100.4Standard polar33892256
Folic acid,6TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4137.7Semi standard non polar33892256
Folic acid,6TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3950.3Standard non polar33892256
Folic acid,6TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C4967.5Standard polar33892256
Folic acid,6TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C4068.4Semi standard non polar33892256
Folic acid,6TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C3830.4Standard non polar33892256
Folic acid,6TMS,isomer #4C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C5060.9Standard polar33892256
Folic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4074.9Semi standard non polar33892256
Folic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4019.4Standard non polar33892256
Folic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C5009.7Standard polar33892256
Folic acid,6TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4084.7Semi standard non polar33892256
Folic acid,6TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4009.6Standard non polar33892256
Folic acid,6TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C4988.9Standard polar33892256
Folic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O4790.1Semi standard non polar33892256
Folic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C14772.5Semi standard non polar33892256
Folic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]14810.2Semi standard non polar33892256
Folic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14771.7Semi standard non polar33892256
Folic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4695.1Semi standard non polar33892256
Folic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C214705.7Semi standard non polar33892256
Folic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4811.5Semi standard non polar33892256
Folic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C(C)(C)C4811.9Semi standard non polar33892256
Folic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14848.8Semi standard non polar33892256
Folic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14763.6Semi standard non polar33892256
Folic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4862.2Semi standard non polar33892256
Folic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14792.1Semi standard non polar33892256
Folic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14715.3Semi standard non polar33892256
Folic acid,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4738.4Semi standard non polar33892256
Folic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2[NH]14824.8Semi standard non polar33892256
Folic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4740.1Semi standard non polar33892256
Folic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4801.8Semi standard non polar33892256
Folic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4777.3Semi standard non polar33892256
Folic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14813.0Semi standard non polar33892256
Folic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4747.9Semi standard non polar33892256
Folic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C14775.5Semi standard non polar33892256
Folic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C14768.4Semi standard non polar33892256
Folic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14860.7Semi standard non polar33892256
Folic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14598.0Standard non polar33892256
Folic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]16148.7Standard polar33892256
Folic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4795.0Semi standard non polar33892256
Folic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4421.5Standard non polar33892256
Folic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6253.1Standard polar33892256
Folic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4818.8Semi standard non polar33892256
Folic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4446.3Standard non polar33892256
Folic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O6185.1Standard polar33892256
Folic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C14823.8Semi standard non polar33892256
Folic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C14721.9Standard non polar33892256
Folic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C16021.8Standard polar33892256
Folic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14796.1Semi standard non polar33892256
Folic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14550.4Standard non polar33892256
Folic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]16054.3Standard polar33892256
Folic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14772.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14561.7Standard non polar33892256
Folic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]16141.3Standard polar33892256
Folic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4875.5Semi standard non polar33892256
Folic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4640.0Standard non polar33892256
Folic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C6038.7Standard polar33892256
Folic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4713.8Semi standard non polar33892256
Folic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4376.1Standard non polar33892256
Folic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6056.2Standard polar33892256
Folic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4797.1Semi standard non polar33892256
Folic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4395.7Standard non polar33892256
Folic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6232.1Standard polar33892256
Folic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14792.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14405.2Standard non polar33892256
Folic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C16137.7Standard polar33892256
Folic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14869.0Semi standard non polar33892256
Folic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14717.4Standard non polar33892256
Folic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C15951.8Standard polar33892256
Folic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4777.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4410.6Standard non polar33892256
Folic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C6185.0Standard polar33892256
Folic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4775.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O4711.6Standard non polar33892256
Folic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O6021.9Standard polar33892256
Folic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4949.1Semi standard non polar33892256
Folic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4796.8Standard non polar33892256
Folic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5984.1Standard polar33892256
Folic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14756.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14559.4Standard non polar33892256
Folic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]16052.4Standard polar33892256
Folic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4895.9Semi standard non polar33892256
Folic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4638.8Standard non polar33892256
Folic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C5967.5Standard polar33892256
Folic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4838.7Semi standard non polar33892256
Folic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4636.3Standard non polar33892256
Folic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C6044.2Standard polar33892256
Folic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14757.1Semi standard non polar33892256
Folic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14415.8Standard non polar33892256
Folic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C16129.9Standard polar33892256
Folic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4778.6Semi standard non polar33892256
Folic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4404.6Standard non polar33892256
Folic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C6098.6Standard polar33892256
Folic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4816.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4442.1Standard non polar33892256
Folic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C6267.0Standard polar33892256
Folic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O4860.7Semi standard non polar33892256
Folic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O4769.6Standard non polar33892256
Folic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O6063.6Standard polar33892256
Folic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14824.2Semi standard non polar33892256
Folic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14586.9Standard non polar33892256
Folic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]16095.0Standard polar33892256
Folic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14775.9Semi standard non polar33892256
Folic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14586.1Standard non polar33892256
Folic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]16157.3Standard polar33892256
Folic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4899.0Semi standard non polar33892256
Folic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4688.1Standard non polar33892256
Folic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C6077.8Standard polar33892256
Folic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4715.1Semi standard non polar33892256
Folic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4401.4Standard non polar33892256
Folic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6078.7Standard polar33892256
Folic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4941.8Semi standard non polar33892256
Folic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4730.8Standard non polar33892256
Folic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5687.7Standard polar33892256
Folic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5029.9Semi standard non polar33892256
Folic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4802.3Standard non polar33892256
Folic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5663.6Standard polar33892256
Folic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14811.0Semi standard non polar33892256
Folic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14553.9Standard non polar33892256
Folic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]15729.6Standard polar33892256
Folic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4955.8Semi standard non polar33892256
Folic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4605.0Standard non polar33892256
Folic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C5650.4Standard polar33892256
Folic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4908.8Semi standard non polar33892256
Folic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4652.4Standard non polar33892256
Folic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C5732.1Standard polar33892256
Folic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4832.2Semi standard non polar33892256
Folic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4415.1Standard non polar33892256
Folic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C5905.6Standard polar33892256
Folic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4854.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4719.0Standard non polar33892256
Folic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C5687.7Standard polar33892256
Folic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C14903.6Semi standard non polar33892256
Folic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C14670.8Standard non polar33892256
Folic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C15600.0Standard polar33892256
Folic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C14999.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C14764.4Standard non polar33892256
Folic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C15635.1Standard polar33892256
Folic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14801.3Semi standard non polar33892256
Folic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14544.5Standard non polar33892256
Folic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]15716.9Standard polar33892256
Folic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4925.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4577.1Standard non polar33892256
Folic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C5623.3Standard polar33892256
Folic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14896.6Semi standard non polar33892256
Folic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]14527.7Standard non polar33892256
Folic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]15713.5Standard polar33892256
Folic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4908.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4637.7Standard non polar33892256
Folic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C5720.1Standard polar33892256
Folic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4819.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4406.5Standard non polar33892256
Folic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C5888.2Standard polar33892256
Folic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C15033.7Semi standard non polar33892256
Folic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C14745.1Standard non polar33892256
Folic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C15568.0Standard polar33892256
Folic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14871.9Semi standard non polar33892256
Folic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C14700.3Standard non polar33892256
Folic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C15608.8Standard polar33892256
Folic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4963.0Semi standard non polar33892256
Folic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O4773.9Standard non polar33892256
Folic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O5648.6Standard polar33892256
Folic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4883.3Semi standard non polar33892256
Folic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C4606.5Standard non polar33892256
Folic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C5639.6Standard polar33892256
Folic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14878.8Semi standard non polar33892256
Folic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]14594.8Standard non polar33892256
Folic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]15799.3Standard polar33892256
Folic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4978.2Semi standard non polar33892256
Folic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C4644.6Standard non polar33892256
Folic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C5710.9Standard polar33892256
Folic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4772.8Semi standard non polar33892256
Folic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4380.0Standard non polar33892256
Folic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C5809.6Standard polar33892256
Folic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4873.3Semi standard non polar33892256
Folic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C4430.4Standard non polar33892256
Folic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C6001.2Standard polar33892256
Folic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4871.7Semi standard non polar33892256
Folic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4391.0Standard non polar33892256
Folic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C5911.3Standard polar33892256
Folic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4864.5Semi standard non polar33892256
Folic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C4739.6Standard non polar33892256
Folic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C5700.8Standard polar33892256
Folic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4940.7Semi standard non polar33892256
Folic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4701.3Standard non polar33892256
Folic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O5627.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-2249100000-5ad16461f6638538ea082017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (2 TMS) - 70eV, Positivesplash10-00xr-4205390000-4152e24c68306bfe65542017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Folic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9410000000-7cba521e8707575394242014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0006-0000900000-4208ea3c2f5d9026c19f2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0006-0050900000-2c8ad037dc3b270765c42012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0007-0090300000-ebdec84cbb7fe5afbc0b2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-0007-0903600000-e5d91e4f2ab79d130b762012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid LC-ESI-qTof , Positive-QTOFsplash10-002b-0960000000-108d96993dc78f1e4b612017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid LC-ESI-QTOF , negative-QTOFsplash10-0007-0903600000-e5d91e4f2ab79d130b762017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid , positive-QTOFsplash10-002b-0960000000-108d96993dc78f1e4b612017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 10V, Positive-QTOFsplash10-0002-0090000000-9e9a33bc590d0f8019292021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 30V, Positive-QTOFsplash10-0aba-6940000000-f0b6076af9cb594136562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 0V, Positive-QTOFsplash10-0005-0090600010-5ef6e95b870cc0ebfeb82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 20V, Positive-QTOFsplash10-0002-0190000000-2d1f624dc1d2d929527f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 90V, Negative-QTOFsplash10-015c-9700000000-5a0aeec6b1c2bfddfdf12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 10V, Positive-QTOFsplash10-0002-0090000000-b750c262ac740994e33a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 0V, Positive-QTOFsplash10-0005-0090600000-c0e3753ba3591c41d1db2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 75V, Negative-QTOFsplash10-001i-3900000000-4d5187e4336ce6be5eb72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 40V, Positive-QTOFsplash10-00b9-0910000000-b3bc3e8ccbba45c85e782021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 10V, Positive-QTOFsplash10-0002-0090000010-2c53d9aa251e756381832021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 10V, Negative-QTOFsplash10-0006-0000900000-7370828adb963cbb92462021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Folic acid 20V, Negative-QTOFsplash10-0006-0000900000-3b979cd5ecd30ae0d2bf2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 10V, Positive-QTOFsplash10-00bd-0544900000-aa9a130e2cf3dacfb9542016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 20V, Positive-QTOFsplash10-004j-0954100000-7be7eac442233b5d3bcf2016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 40V, Positive-QTOFsplash10-004i-1960000000-1950169762886f41b6ec2016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 10V, Negative-QTOFsplash10-0006-0114900000-bff7f5f3d20dcd6a44942016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 20V, Negative-QTOFsplash10-00r7-1249300000-e322ba8675bb922877a92016-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Folic acid 40V, Negative-QTOFsplash10-0006-9652000000-8c87fa7172ed19a7eb272016-09-14Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Blood
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue Locations
  • Brain
  • Erythrocyte
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.021 (0.017-0.025) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0295-0.0340 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified0.00544-0.0272 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.039 (0.01 - 0.14) uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.011 (0.004 - 0.028) uMChildren (1-13 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.009 (0.0024 - 0.024) uMAdult (>18 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.024 uMInfant (5 days - <1 year old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.0088 uMChildren (1 - <3 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.027 uMChildren (3 - <6 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.0297 uMChildren (6 - <8 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.0258 uMChildren (8 - <12 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.027 uMAdolescent (12 - <14 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.0179 uMAdolescent (14 - <19 years oldBoth
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.00400-0.0150 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified0.016 +/- 0.0049 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.02 (0.011- 0.036) uMAdult (>18 years old)BothNormal
    • Wu AHB. Tietz cli...
 details
BloodDetected and Quantified0.009 (0.0026-0.026) uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.023 (0.002-0.045) uMChildren (1-13 years old)BothNormal details
Cellular CytoplasmDetected and Quantified0.735 +/- 0.202 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
Cellular CytoplasmDetected and Quantified0.453 +/- 0.131 uMAdult (>18 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
Cellular CytoplasmDetected and Quantified> 0.35 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0544 uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0078 +/- 0.0011 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.053 +/- 0.024 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.006 +/- 0.0005 uMElderly (>65 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0202 +/- 0.00567 uMAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified0.00065 (0.000092-0.0013) umol/mmol creatinineAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
UrineDetected and Quantified0.0014 (0.000013-0.0026) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
UrineDetected and Quantified< 0.01 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.023 (0.019-0.028) uMAdult (>18 years old)Both
Rheumatoid arthritis		 details
BloodDetected and Quantified0.00204 uMInfant (0-1 year old)FemaleHereditary folate malabsorption details
BloodDetected and Quantified0.00131 uMInfant (0-1 year old)MaleHereditary folate malabsorption details
BloodDetected and Quantified0.0097 uMAdult (>18 years old)MaleDimethylglycinuria details
BloodDetected and Quantified0.023 (0.020-0.026) uMAdult (>18 years old)Both
Rheumatoid arthritis		 details
BloodDetected and Quantified0.003 (0.0 - 0.007) uMAdult (>18 years old)BothFolate deficiency
    • Wu AHB. Tietz cli...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0203 +/- 0.0017 uMAdult (>18 years old)Not SpecifiedAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0209 +/- 0.00703 uMAdult (>18 years old)Not Specifiedfibromyalgia details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00612 uMChildren (1-13 years old)MaleHereditary folate malabsorption details
Cerebrospinal Fluid (CSF)Detected and Quantified0.008 +/- 0.0011 uMElderly (>65 years old)BothAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0056 +/- 0.005 uMAdult (>18 years old)BothAlzheimer's disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleInterstitial cystitis details
Associated Disorders and Diseases
Disease References
Folate deficiency
  1. (). Wu AHB. Tietz clinical guide to laboratory tests. 4th ed. St. Louis: Saunders/Elsevier. 2006.. .
Rheumatoid arthritis
  1. Chiang EP, Smith DE, Selhub J, Dallal G, Wang YC, Roubenoff R: Inflammation causes tissue-specific depletion of vitamin B6. Arthritis Res Ther. 2005;7(6):R1254-62. Epub 2005 Sep 13. [PubMed:16277678 ]
Hereditary folate malabsorption
  1. Corbeel L, Van den Berghe G, Jaeken J, Van Tornout J, Eeckels R: Congenital folate malabsorption. Eur J Pediatr. 1985 Mar;143(4):284-90. [PubMed:3987728 ]
  2. Meyer E, Kurian MA, Pasha S, Trembath RC, Cole T, Maher ER: A novel PCFT gene mutation (p.Cys66LeufsX99) causing hereditary folate malabsorption. Mol Genet Metab. 2010 Mar;99(3):325-8. doi: 10.1016/j.ymgme.2009.11.004. Epub 2009 Nov 16. [PubMed:20005757 ]
Dimethylglycine Dehydrogenase Deficiency
  1. Moolenaar SH, Poggi-Bach J, Engelke UF, Corstiaensen JM, Heerschap A, de Jong JG, Binzak BA, Vockley J, Wevers RA: Defect in dimethylglycine dehydrogenase, a new inborn error of metabolism: NMR spectroscopy study. Clin Chem. 1999 Apr;45(4):459-64. [PubMed:10102904 ]
Alzheimer's disease
  1. Selley ML, Close DR, Stern SE: The effect of increased concentrations of homocysteine on the concentration of (E)-4-hydroxy-2-nonenal in the plasma and cerebrospinal fluid of patients with Alzheimer's disease. Neurobiol Aging. 2002 May-Jun;23(3):383-8. [PubMed:11959400 ]
  2. Smach MA, Jacob N, Golmard JL, Charfeddine B, Lammouchi T, Ben Othman L, Dridi H, Bennamou S, Limem K: Folate and homocysteine in the cerebrospinal fluid of patients with Alzheimer's disease or dementia: a case control study. Eur Neurol. 2011;65(5):270-8. doi: 10.1159/000326301. Epub 2011 Apr 8. [PubMed:21474939 ]
Fibromyalgia
  1. Ortancil O, Sanli A, Eryuksel R, Basaran A, Ankarali H: Association between serum ferritin level and fibromyalgia syndrome. Eur J Clin Nutr. 2010 Mar;64(3):308-12. doi: 10.1038/ejcn.2009.149. Epub 2010 Jan 20. [PubMed:20087382 ]
Bladder infections
  1. Braundmeier-Fleming A, Russell NT, Yang W, Nas MY, Yaggie RE, Berry M, Bachrach L, Flury SC, Marko DS, Bushell CB, Welge ME, White BA, Schaeffer AJ, Klumpp DJ: Stool-based biomarkers of interstitial cystitis/bladder pain syndrome. Sci Rep. 2016 May 18;6:26083. doi: 10.1038/srep26083. [PubMed:27188581 ]
Associated OMIM IDs
  • 180300 (Rheumatoid arthritis)
  • 229050 (Hereditary folate malabsorption)
  • 605850 (Dimethylglycine Dehydrogenase Deficiency)
  • 104300 (Alzheimer's disease)
DrugBank IDDB00158
Phenol Explorer Compound IDNot Available
FooDB IDFDB014504
KNApSAcK IDC00001539
Chemspider ID5815
KEGG Compound IDC00504
BioCyc IDCPD-12826
BiGG ID35180
Wikipedia LinkFolic_Acid
METLIN ID246
PubChem Compound6037
PDB IDNot Available
ChEBI ID27470
Food Biomarker OntologyNot Available
VMH IDFOL
MarkerDB IDMDB00000056
Good Scents IDNot Available
References
Synthesis ReferencePiper, James R.; McCaleb, George S.; Montgomery, John A. Synthesis of 10-propargylfolic acid from 2-amino-6-(bromomethyl)-4(1H)-pteridinone. Journal of Heterocyclic Chemistry (1987), 24(1), 279-82.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Kopczynska E, Ziolkowski M, Jendryczka-Mackiewicz E, Odrowaz-Sypniewska G, Opozda K, Tyrakowski T: [The concentrations of homocysteine, folic acid and vitamin B12 in alcohol dependent male patients]. Psychiatr Pol. 2004 Sep-Oct;38(5):947-56. [PubMed:15523939 ]
  2. Gregory JF 3rd, Williamson J, Liao JF, Bailey LB, Toth JP: Kinetic model of folate metabolism in nonpregnant women consuming [2H2]folic acid: isotopic labeling of urinary folate and the catabolite para-acetamidobenzoylglutamate indicates slow, intake-dependent, turnover of folate pools. J Nutr. 1998 Nov;128(11):1896-906. [PubMed:9808640 ]
  3. Lin Y, Dueker SR, Follett JR, Fadel JG, Arjomand A, Schneider PD, Miller JW, Green R, Buchholz BA, Vogel JS, Phair RD, Clifford AJ: Quantitation of in vivo human folate metabolism. Am J Clin Nutr. 2004 Sep;80(3):680-91. [PubMed:15321809 ]
  4. Rodriguez Flores J, Penalvo GC, Mansilla AE, Gomez MJ: Capillary electrophoretic determination of methotrexate, leucovorin and folic acid in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 May 5;819(1):141-7. [PubMed:15797531 ]
  5. Selley ML, Close DR, Stern SE: The effect of increased concentrations of homocysteine on the concentration of (E)-4-hydroxy-2-nonenal in the plasma and cerebrospinal fluid of patients with Alzheimer's disease. Neurobiol Aging. 2002 May-Jun;23(3):383-8. [PubMed:11959400 ]
  6. Litwin M, Abuauba M, Wawer ZT, Grenda R, Kuryl T, Pietraszek E: [Sulphur amino acids, vitamin B12 and folic acid in children with chronic renal failure]. Pol Merkur Lekarski. 2000 Apr;8(46):268-9. [PubMed:10897644 ]
  7. Gregory JF 3rd, Williamson J, Bailey LB, Toth JP: Urinary excretion of [2H4]folate by nonpregnant women following a single oral dose of [2H4]folic acid is a functional index of folate nutritional status. J Nutr. 1998 Nov;128(11):1907-12. [PubMed:9808641 ]
  8. Dietrich M, Brown CJ, Block G: The effect of folate fortification of cereal-grain products on blood folate status, dietary folate intake, and dietary folate sources among adult non-supplement users in the United States. J Am Coll Nutr. 2005 Aug;24(4):266-74. [PubMed:16093404 ]
  9. Pufulete M, Al-Ghnaniem R, Khushal A, Appleby P, Harris N, Gout S, Emery PW, Sanders TA: Effect of folic acid supplementation on genomic DNA methylation in patients with colorectal adenoma. Gut. 2005 May;54(5):648-53. [PubMed:15831910 ]
  10. Clifford AJ, Arjomand A, Dueker SR, Schneider PD, Buchholz BA, Vogel JS: The dynamics of folic acid metabolism in an adult given a small tracer dose of 14C-folic acid. Adv Exp Med Biol. 1998;445:239-51. [PubMed:9781393 ]
  11. Olthof MR, Bots ML, Katan MB, Verhoef P: Effect of folic acid and betaine supplementation on flow-mediated dilation: a randomized, controlled study in healthy volunteers. PLoS Clin Trials. 2006 Jun;1(2):e10. Epub 2006 Jun 9. [PubMed:16871332 ]
  12. Stern LL, Bagley PJ, Rosenberg IH, Selhub J: Conversion of 5-formyltetrahydrofolic acid to 5-methyltetrahydrofolic acid is unimpaired in folate-adequate persons homozygous for the C677T mutation in the methylenetetrahydrofolate reductase gene. J Nutr. 2000 Sep;130(9):2238-42. [PubMed:10958818 ]
  13. Stuerenburg HJ, Ganzer S, Arlt S, Muller-Thomsen T: The influence of smoking on plasma folate and lipoproteins in Alzheimer disease, mild cognitive impairment and depression. Neuro Endocrinol Lett. 2005 Jun;26(3):261-3. [PubMed:15990733 ]
  14. Cahill E, McPartlin J, Gibney MJ: The effects of fasting and refeeding healthy volunteers on serum folate levels. Int J Vitam Nutr Res. 1998;68(2):142-5. [PubMed:9565830 ]
  15. Raiten DJ, Fisher KD: Assessment of folate methodology used in the Third National Health and Nutrition Examination Survey (NHANES III, 1988-1994). J Nutr. 1995 May;125(5):1371S-1398S. [PubMed:7738698 ]
  16. Zittoun J: [Anemias due to disorder of folate, vitamin B12 and transcobalamin metabolism]. Rev Prat. 1993 Jun 1;43(11):1358-63. [PubMed:8235383 ]
  17. Kamen B: Folate and antifolate pharmacology. Semin Oncol. 1997 Oct;24(5 Suppl 18):S18-30-S18-39. [PubMed:9420019 ]
  18. Fenech M, Aitken C, Rinaldi J: Folate, vitamin B12, homocysteine status and DNA damage in young Australian adults. Carcinogenesis. 1998 Jul;19(7):1163-71. [PubMed:9683174 ]
  19. Alaimo K, McDowell MA, Briefel RR, Bischof AM, Caughman CR, Loria CM, Johnson CL: Dietary intake of vitamins, minerals, and fiber of persons ages 2 months and over in the United States: Third National Health and Nutrition Examination Survey, Phase 1, 1988-91. Adv Data. 1994 Nov 14;(258):1-28. [PubMed:10138938 ]
  20. Rossi M, Amaretti A, Raimondi S: Folate production by probiotic bacteria. Nutrients. 2011 Jan;3(1):118-34. doi: 10.3390/nu3010118. Epub 2011 Jan 18. [PubMed:22254078 ]
  21. Bibbins-Domingo K, Grossman DC, Curry SJ, Davidson KW, Epling JW Jr, Garcia FA, Kemper AR, Krist AH, Kurth AE, Landefeld CS, Mangione CM, Phillips WR, Phipps MG, Pignone MP, Silverstein M, Tseng CW: Folic Acid Supplementation for the Prevention of Neural Tube Defects: US Preventive Services Task Force Recommendation Statement. JAMA. 2017 Jan 10;317(2):183-189. doi: 10.1001/jama.2016.19438. [PubMed:28097362 ]

Only showing the first 10 proteins. There are 23 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Methylenetetrahydrofolate reductase
General function:
Involved in methylenetetrahydrofolate reductase (NADPH) activity
Specific function:
Catalyzes the conversion of 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate, a co-substrate for homocysteine remethylation to methionine.
Gene Name:
MTHFR
Uniprot ID:
P42898
Molecular weight:
74595.895
References
  1. West AA, Caudill MA: Genetic variation: impact on folate (and choline) bioefficacy. Int J Vitam Nutr Res. 2010 Oct;80(4-5):319-29. doi: 10.1024/0300-9831/a000040. [PubMed:21462116 ]
  2. Kim YI: Role of the MTHFR polymorphisms in cancer risk modification and treatment. Future Oncol. 2009 May;5(4):523-42. doi: 10.2217/fon.09.26. [PubMed:19450180 ]
Enzyme Details
2. Glycine N-methyltransferase
General function:
Involved in folic acid binding
Specific function:
Catalyzes the methylation of glycine by using S-adenosylmethionine (AdoMet) to form N-methylglycine (sarcosine) with the concomitant production of S-adenosylhomocysteine (AdoHcy). Possible crucial role in the regulation of tissue concentration of AdoMet and of metabolism of methionine.
Gene Name:
GNMT
Uniprot ID:
Q14749
Molecular weight:
32742.0
Enzyme Details
3. Formimidoyltransferase-cyclodeaminase
General function:
Involved in catalytic activity
Specific function:
Folate-dependent enzyme, that displays both transferase and deaminase activity. Serves to channel one-carbon units from formiminoglutamate to the folate pool. Binds and promotes bundling of vimentin filaments originating from the Golgi (By similarity).
Gene Name:
FTCD
Uniprot ID:
O95954
Molecular weight:
58925.93
Enzyme Details
4. Dihydrofolate reductase
General function:
Involved in dihydrofolate reductase activity
Specific function:
Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.
Gene Name:
DHFR
Uniprot ID:
P00374
Molecular weight:
21452.61
Reactions
Tetrahydrofolic acid + NAD → Folic acid + NADH + Hydrogen Iondetails
Tetrahydrofolic acid + NADP → Folic acid + NADPH + Hydrogen Iondetails
Dihydrofolic acid + NAD → Folic acid + NADH + Hydrogen Iondetails
Dihydrofolic acid + NADP → Folic acid + NADPH + Hydrogen Iondetails
Enzyme Details
5. 5-formyltetrahydrofolate cyclo-ligase
General function:
Involved in ATP binding
Specific function:
Contributes to tetrahydrofolate metabolism. Helps regulate carbon flow through the folate-dependent one-carbon metabolic network that supplies carbon for the biosynthesis of purines, thymidine and amino acids.
Gene Name:
MTHFS
Uniprot ID:
P49914
Molecular weight:
16813.995
Enzyme Details
6. Cytochrome P450 2E1
General function:
Involved in monooxygenase activity
Specific function:
Metabolizes several precarcinogens, drugs, and solvents to reactive metabolites. Inactivates a number of drugs and xenobiotics and also bioactivates many xenobiotic substrates to their hepatotoxic or carcinogenic forms.
Gene Name:
CYP2E1
Uniprot ID:
P05181
Molecular weight:
56848.42
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
7. Folate receptor alpha
General function:
Involved in folic acid binding
Specific function:
Binds to folate and reduced folic acid derivatives and mediates delivery of 5-methyltetrahydrofolate to the interior of cells
Gene Name:
FOLR1
Uniprot ID:
P15328
Molecular weight:
29818.9
Enzyme Details
8. Folate transporter 1
General function:
Involved in folic acid binding
Specific function:
Transporter for the intake of folate. Uptake of folate in human placental choriocarcinoma cells occurs by a novel mechanism called potocytosis which functionally couples three components, namely the folate receptor, the folate transporter, and a V-type H(+)-pump.
Gene Name:
SLC19A1
Uniprot ID:
P41440
Molecular weight:
54261.68
Enzyme Details
9. Thiamine transporter 1
General function:
Involved in folic acid binding
Specific function:
High-affinity transporter for the intake of thiamine.
Gene Name:
SLC19A2
Uniprot ID:
O60779
Molecular weight:
55399.49
Enzyme Details
10. Folate receptor gamma
General function:
Involved in folic acid binding
Specific function:
Binds to folate and reduced folic acid derivatives and mediates delivery of 5-methyltetrahydrofolate to the interior of cells. Isoform Short does not bind folate
Gene Name:
FOLR3
Uniprot ID:
P41439
Molecular weight:
27638.0
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Shen F, Ross JF, Wang X, Ratnam M: Identification of a novel folate receptor, a truncated receptor, and receptor type beta in hematopoietic cells: cDNA cloning, expression, immunoreactivity, and tissue specificity. Biochemistry. 1994 Feb 8;33(5):1209-15. [PubMed:8110752 ]
  4. Shen F, Wu M, Ross JF, Miller D, Ratnam M: Folate receptor type gamma is primarily a secretory protein due to lack of an efficient signal for glycosylphosphatidylinositol modification: protein characterization and cell type specificity. Biochemistry. 1995 Apr 25;34(16):5660-5. [PubMed:7727426 ]
  5. Prasad PD, Ramamoorthy S, Moe AJ, Smith CH, Leibach FH, Ganapathy V: Selective expression of the high-affinity isoform of the folate receptor (FR-alpha) in the human placental syncytiotrophoblast and choriocarcinoma cells. Biochim Biophys Acta. 1994 Aug 11;1223(1):71-5. [PubMed:8061055 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

Transporters

Enzyme Details
1. Canalicular multispecific organic anion transporter 2
General function:
Involved in ATP binding
Specific function:
May act as an inducible transporter in the biliary and intestinal excretion of organic anions. Acts as an alternative route for the export of bile acids and glucuronides from cholestatic hepatocytes
Gene Name:
ABCC3
Uniprot ID:
O15438
Molecular weight:
169341.1
References
  1. Zeng H, Chen ZS, Belinsky MG, Rea PA, Kruh GD: Transport of methotrexate (MTX) and folates by multidrug resistance protein (MRP) 3 and MRP1: effect of polyglutamylation on MTX transport. Cancer Res. 2001 Oct 1;61(19):7225-32. [PubMed:11585759 ]
Enzyme Details
2. ATP-binding cassette sub-family G member 2
General function:
Involved in ATP binding
Specific function:
Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. May be involved in brain-to-blood efflux. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. When overexpressed, the transfected cells become resistant to mitoxantrone, daunorubicin and doxorubicin, display diminished intracellular accumulation of daunorubicin, and manifest an ATP- dependent increase in the efflux of rhodamine 123
Gene Name:
ABCG2
Uniprot ID:
Q9UNQ0
Molecular weight:
72313.5
References
  1. Chen ZS, Robey RW, Belinsky MG, Shchaveleva I, Ren XQ, Sugimoto Y, Ross DD, Bates SE, Kruh GD: Transport of methotrexate, methotrexate polyglutamates, and 17beta-estradiol 17-(beta-D-glucuronide) by ABCG2: effects of acquired mutations at R482 on methotrexate transport. Cancer Res. 2003 Jul 15;63(14):4048-54. [PubMed:12874005 ]
Enzyme Details
3. Proton-coupled folate transporter
General function:
Involved in transmembrane transport
Specific function:
Has been shown to act both as an intestinal proton- coupled high-affinity folate transporter and as an intestinal heme transporter which mediates heme uptake from the gut lumen into duodenal epithelial cells. The iron is then released from heme and may be transported into the bloodstream. Dietary heme iron is an important nutritional source of iron. Shows a higher affinity for folate than heme
Gene Name:
SLC46A1
Uniprot ID:
Q96NT5
Molecular weight:
49770.0
References
  1. Nakai Y, Inoue K, Abe N, Hatakeyama M, Ohta KY, Otagiri M, Hayashi Y, Yuasa H: Functional characterization of human proton-coupled folate transporter/heme carrier protein 1 heterologously expressed in mammalian cells as a folate transporter. J Pharmacol Exp Ther. 2007 Aug;322(2):469-76. Epub 2007 May 2. [PubMed:17475902 ]
  2. Ashokkumar B, Mohammed ZM, Vaziri ND, Said HM: Effect of folate oversupplementation on folate uptake by human intestinal and renal epithelial cells. Am J Clin Nutr. 2007 Jul;86(1):159-66. [PubMed:17616776 ]
Enzyme Details
4. Multidrug resistance-associated protein 4
General function:
Involved in ATP binding
Specific function:
May be an organic anion pump relevant to cellular detoxification
Gene Name:
ABCC4
Uniprot ID:
O15439
Molecular weight:
149525.3
References
  1. Chen ZS, Lee K, Walther S, Raftogianis RB, Kuwano M, Zeng H, Kruh GD: Analysis of methotrexate and folate transport by multidrug resistance protein 4 (ABCC4): MRP4 is a component of the methotrexate efflux system. Cancer Res. 2002 Jun 1;62(11):3144-50. [PubMed:12036927 ]
  2. Rius M, Nies AT, Hummel-Eisenbeiss J, Jedlitschky G, Keppler D: Cotransport of reduced glutathione with bile salts by MRP4 (ABCC4) localized to the basolateral hepatocyte membrane. Hepatology. 2003 Aug;38(2):374-84. [PubMed:12883481 ]
Enzyme Details
5. Solute carrier family 22 member 6
General function:
Involved in ion transmembrane transporter activity
Specific function:
Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one molecule of endogenous dicarboxylic acid (glutarate, ketoglutarate, etc). Mediates the sodium-independent uptake of 2,3-dimercapto-1-propanesulfonic acid (DMPS). Mediates the sodium-independent uptake of p- aminohippurate (PAH), ochratoxin (OTA), acyclovir (ACV), 3'-azido- 3-'deoxythymidine (AZT), cimetidine (CMD), 2,4-dichloro- phenoxyacetate (2,4-D), hippurate (HA), indoleacetate (IA), indoxyl sulfate (IS) and 3-carboxy-4-methyl-5-propyl-2- furanpropionate (CMPF), cidofovir, adefovir, 9-(2- phosphonylmethoxyethyl) guanine (PMEG), 9-(2- phosphonylmethoxyethyl) diaminopurine (PMEDAP) and edaravone sulfate. PAH uptake is inhibited by p- chloromercuribenzenesulphonate (PCMBS), diethyl pyrocarbonate (DEPC), sulindac, diclofenac, carprofen, glutarate and okadaic acid. PAH uptake is inhibited by benzothiazolylcysteine (BTC), S-chlorotrifluoroethylcysteine (CTFC), cysteine S-conjugates S-dichlorovinylcysteine (DCVC), furosemide, steviol, phorbol 12-myristate 13-acetate (PMA), calcium ionophore A23187, benzylpenicillin, furosemide, indomethacin, bumetamide, losartan, probenecid, phenol red, urate, and alpha-ketoglutarate
Gene Name:
SLC22A6
Uniprot ID:
Q4U2R8
Molecular weight:
61815.8
References
  1. Kuze K, Graves P, Leahy A, Wilson P, Stuhlmann H, You G: Heterologous expression and functional characterization of a mouse renal organic anion transporter in mammalian cells. J Biol Chem. 1999 Jan 15;274(3):1519-24. [PubMed:9880528 ]
  2. Uwai Y, Okuda M, Takami K, Hashimoto Y, Inui K: Functional characterization of the rat multispecific organic anion transporter OAT1 mediating basolateral uptake of anionic drugs in the kidney. FEBS Lett. 1998 Nov 6;438(3):321-4. [PubMed:9827570 ]
Enzyme Details
6. ATP-binding cassette sub-family C member 11
General function:
Involved in ATP binding
Specific function:
Participates in physiological processes involving bile acids, conjugated steroids and cyclic nucleotides. Enhances the cellular extrusion of cAMP and cGMP. Stimulates the ATP-dependent uptake of a range of physiological and synthetic lipophilic anions, including the glutathione S-conjugates leukotriene C4 and dinitrophenyl S-glutathione, steroid sulfates such as dehydroepiandrosterone 3-sulfate (DHEAS) and estrone 3-sulfate, glucuronides such as estradiol 17-beta-D-glucuronide (E(2)17betaG), the monoanionic bile acids glycocholate and taurocholate, and methotrexate. Probably functions to secrete earwax
Gene Name:
ABCC11
Uniprot ID:
Q96J66
Molecular weight:
154299.6
References
  1. Chen ZS, Guo Y, Belinsky MG, Kotova E, Kruh GD: Transport of bile acids, sulfated steroids, estradiol 17-beta-D-glucuronide, and leukotriene C4 by human multidrug resistance protein 8 (ABCC11). Mol Pharmacol. 2005 Feb;67(2):545-57. Epub 2004 Nov 10. [PubMed:15537867 ]
Enzyme Details
7. Mitochondrial folate transporter/carrier
General function:
Involved in transporter activity
Specific function:
Transports folate across the inner membranes of mitochondria.
Gene Name:
SLC25A32
Uniprot ID:
Q9H2D1
Molecular weight:
35406.83
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]

Only showing the first 10 proteins. There are 23 proteins in total.

Show all enzymes and transporters