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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-10-16 22:33:06 UTC

Update Date

2021-09-14 15:45:53 UTC

HMDB ID

HMDB0011118

Secondary Accession Numbers

HMDB11118

Metabolite Identification

Common Name

Se-Adenosylselenomethionine

Description

Se-Adenosylselenomethionine belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Se-Adenosylselenomethionine is a very strong basic compound (based on its pKa). Se-Adenosylselenomethionine exists in all living organisms, ranging from bacteria to humans. Within humans, se-adenosylselenomethionine participates in a number of enzymatic reactions. In particular, se-adenosylselenomethionine can be converted into se-adenosylselenohomocysteine; which is mediated by the enzyme methyltransferase-like protein 6. In addition, se-adenosylselenomethionine and phosphoric acid can be biosynthesized from selenomethionine; which is catalyzed by the enzyme S-adenosylmethionine synthase. In humans, se-adenosylselenomethionine is involved in selenoamino acid metabolism.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 02241201192D          

 27 29  0  0  1  0            999 V2000
   19.1887  -12.6731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8163  -13.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4188  -12.9192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4695  -11.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5478  -12.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8960  -13.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7461  -12.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1658  -13.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.3260  -11.8478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2934  -12.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6831  -14.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0908  -12.8845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3474  -13.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4085  -14.4518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3870  -13.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9487  -12.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3210  -12.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0804  -14.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6622  -13.1376    0.0000 Se  0  3  0  0  0  0  0  0  0  0  0  0
   14.9409  -12.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278  -13.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2232  -13.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5088  -12.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7911  -13.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5088  -11.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733  -12.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7911  -13.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1  19   1
M  END

HMDB0011118
     RDKit          3D
Se-Adenosylselenomethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.7213    0.1218    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.4785    1.0693 Se  0  0  0  0  0  3  0  0  0  0  0  0
   -3.5597   -0.8588    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0322    0.3071    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3871    0.8112    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7203    1.9465    1.7043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4285    1.2805   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2609    0.5148   -1.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6613    2.6209   -0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -2.6057   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0899   -1.7922   -0.9848 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0640   -1.3470   -0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.7938   -0.9493 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1994   -0.3709   -0.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -1.1013   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -0.3212    0.6361 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7074    0.9053    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373    2.0463    1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5230    2.1190    1.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    3.1537    1.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372    3.1336    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    2.0152    0.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4595    0.8632    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -1.8534   -1.9929 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3829   -1.2299   -3.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984   -2.6165   -1.9471 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3271   -2.7559   -3.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    0.5599    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795   -0.1875    1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882    0.8568    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963   -0.6004   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2789   -1.6940    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    1.1550    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226    0.0345    2.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1719    0.0409    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8246    2.3838    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2680    1.6134    2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110    2.8769   -1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -3.5079    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -2.8962   -0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -0.9203   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.0616   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -2.1539   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    2.0670    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    2.2201    2.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129    4.0370    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -2.5049   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   -0.2909   -3.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361   -3.6044   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602   -2.2603   -3.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  6
 13 42  1  6
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  CHG  1   2   1
M  END

  Mrv0541 02241201192D          

 27 29  0  0  1  0            999 V2000
   19.1887  -12.6731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8163  -13.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4188  -12.9192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4695  -11.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5478  -12.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8960  -13.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7461  -12.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1658  -13.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.3260  -11.8478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2934  -12.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6831  -14.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0908  -12.8845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3474  -13.6613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4085  -14.4518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3870  -13.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9487  -12.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3210  -12.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0804  -14.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6622  -13.1376    0.0000 Se  0  3  0  0  0  0  0  0  0  0  0  0
   14.9409  -12.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278  -13.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2232  -13.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5088  -12.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7911  -13.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5088  -11.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0733  -12.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7911  -13.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1  19   1
M  END
> <DATABASE_ID>
HMDB0011118

> <DATABASE_NAME>
hmdb

> <SMILES>
C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1

> <INCHI_KEY>
GGJFWMOVUFBSIN-YDBXVIPQSA-O

> <FORMULA>
C15H23N6O5Se

> <MOLECULAR_WEIGHT>
446.34

> <EXACT_MASS>
447.089514704

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
39.60920903710923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium

> <ALOGPS_LOGP>
-1.93

> <JCHEM_LOGP>
-5.070175357145053

> <ALOGPS_LOGS>
-2.43

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.444250676300225

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5973760856380608

> <JCHEM_PKA_STRONGEST_BASIC>
9.414380781057343

> <JCHEM_POLAR_SURFACE_AREA>
182.63

> <JCHEM_REFRACTIVITY>
103.59399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
se-adenosylselenomethionine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011118
     RDKit          3D
Se-Adenosylselenomethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.7213    0.1218    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.4785    1.0693 Se  0  0  0  0  0  3  0  0  0  0  0  0
   -3.5597   -0.8588    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0322    0.3071    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3871    0.8112    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7203    1.9465    1.7043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4285    1.2805   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2609    0.5148   -1.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6613    2.6209   -0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -2.6057   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0899   -1.7922   -0.9848 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0640   -1.3470   -0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.7938   -0.9493 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1994   -0.3709   -0.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -1.1013   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -0.3212    0.6361 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7074    0.9053    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373    2.0463    1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5230    2.1190    1.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    3.1537    1.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372    3.1336    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    2.0152    0.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4595    0.8632    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -1.8534   -1.9929 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3829   -1.2299   -3.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984   -2.6165   -1.9471 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3271   -2.7559   -3.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    0.5599    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795   -0.1875    1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882    0.8568    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963   -0.6004   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2789   -1.6940    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    1.1550    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226    0.0345    2.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1719    0.0409    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8246    2.3838    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2680    1.6134    2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110    2.8769   -1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -3.5079    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -2.8962   -0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -0.9203   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.0616   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -2.1539   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    2.0670    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    2.2201    2.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129    4.0370    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -2.5049   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   -0.2909   -3.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361   -3.6044   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602   -2.2603   -3.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  6
 13 42  1  6
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  CHG  1   2   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0      35.819 -23.656   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      36.990 -24.472   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      34.382 -24.116   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      36.343 -22.109   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      38.356 -23.469   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      37.139 -26.045   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      33.126 -23.177   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      33.909 -25.501   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      37.942 -22.116   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      39.748 -24.084   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      38.608 -26.699   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      31.903 -24.051   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      32.382 -25.501   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      34.363 -26.977   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      39.922 -25.728   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      40.971 -23.171   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      30.466 -23.598   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      31.883 -26.970   0.000  0.00  0.00           O+0
HETATM   19 Se   UNK     0      29.236 -24.524   0.000  0.00  0.00          Se+1
HETATM   20  C   UNK     0      27.890 -23.747   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      29.172 -26.064   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      26.550 -24.517   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      25.216 -23.747   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.877 -24.517   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      25.216 -22.194   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      22.537 -23.747   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      23.877 -26.064   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13   14                                                  
CONECT    9    4    5                                                       
CONECT   10    5   15   16                                                  
CONECT   11    6   15                                                       
CONECT   12    7   17   13                                                  
CONECT   13    8   18   12                                                  
CONECT   14    8                                                            
CONECT   15   10   11                                                       
CONECT   16   10                                                            
CONECT   17   12   19                                                       
CONECT   18   13                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19   22                                                       
CONECT   21   19                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   26   27                                                  
CONECT   25   23                                                            
CONECT   26   24                                                            
CONECT   27   24                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0011118
HETATM    1  C1  UNL     1      -0.721   0.122   1.346  1.00  0.00           C  
HETATM    2 SE1  UNL     1      -1.812  -1.478   1.069  1.00  0.00          SE1+
HETATM    3  C2  UNL     1      -3.560  -0.859   0.452  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.032   0.307   1.259  1.00  0.00           C  
HETATM    5  C4  UNL     1      -5.387   0.811   0.823  1.00  0.00           C  
HETATM    6  N1  UNL     1      -5.720   1.947   1.704  1.00  0.00           N  
HETATM    7  C5  UNL     1      -5.428   1.280  -0.570  1.00  0.00           C  
HETATM    8  O1  UNL     1      -5.261   0.515  -1.539  1.00  0.00           O  
HETATM    9  O2  UNL     1      -5.661   2.621  -0.829  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.973  -2.606  -0.281  1.00  0.00           C  
HETATM   11  C7  UNL     1       0.090  -1.792  -0.985  1.00  0.00           C  
HETATM   12  O3  UNL     1       1.064  -1.347  -0.092  1.00  0.00           O  
HETATM   13  C8  UNL     1       1.999  -0.794  -0.949  1.00  0.00           C  
HETATM   14  N2  UNL     1       3.199  -0.371  -0.287  1.00  0.00           N  
HETATM   15  C9  UNL     1       4.292  -1.101  -0.002  1.00  0.00           C  
HETATM   16  N3  UNL     1       5.213  -0.321   0.636  1.00  0.00           N  
HETATM   17  C10 UNL     1       4.707   0.905   0.759  1.00  0.00           C  
HETATM   18  C11 UNL     1       5.237   2.046   1.324  1.00  0.00           C  
HETATM   19  N4  UNL     1       6.523   2.119   1.925  1.00  0.00           N  
HETATM   20  N5  UNL     1       4.475   3.154   1.297  1.00  0.00           N  
HETATM   21  C12 UNL     1       3.237   3.134   0.733  1.00  0.00           C  
HETATM   22  N6  UNL     1       2.737   2.015   0.187  1.00  0.00           N  
HETATM   23  C13 UNL     1       3.459   0.863   0.184  1.00  0.00           C  
HETATM   24  C14 UNL     1       2.223  -1.853  -1.993  1.00  0.00           C  
HETATM   25  O4  UNL     1       2.383  -1.230  -3.237  1.00  0.00           O  
HETATM   26  C15 UNL     1       0.898  -2.617  -1.947  1.00  0.00           C  
HETATM   27  O5  UNL     1       0.327  -2.756  -3.187  1.00  0.00           O  
HETATM   28  H1  UNL     1      -0.451   0.560   0.343  1.00  0.00           H  
HETATM   29  H2  UNL     1       0.179  -0.188   1.914  1.00  0.00           H  
HETATM   30  H3  UNL     1      -1.288   0.857   1.936  1.00  0.00           H  
HETATM   31  H4  UNL     1      -3.496  -0.600  -0.609  1.00  0.00           H  
HETATM   32  H5  UNL     1      -4.279  -1.694   0.543  1.00  0.00           H  
HETATM   33  H6  UNL     1      -3.303   1.155   1.258  1.00  0.00           H  
HETATM   34  H7  UNL     1      -4.123   0.034   2.350  1.00  0.00           H  
HETATM   35  H8  UNL     1      -6.172   0.041   1.017  1.00  0.00           H  
HETATM   36  H9  UNL     1      -4.825   2.384   2.047  1.00  0.00           H  
HETATM   37  H10 UNL     1      -6.268   1.613   2.515  1.00  0.00           H  
HETATM   38  H11 UNL     1      -6.511   2.877  -1.338  1.00  0.00           H  
HETATM   39  H12 UNL     1      -0.536  -3.508   0.191  1.00  0.00           H  
HETATM   40  H13 UNL     1      -1.767  -2.896  -0.987  1.00  0.00           H  
HETATM   41  H14 UNL     1      -0.350  -0.920  -1.471  1.00  0.00           H  
HETATM   42  H15 UNL     1       1.484   0.062  -1.472  1.00  0.00           H  
HETATM   43  H16 UNL     1       4.407  -2.154  -0.252  1.00  0.00           H  
HETATM   44  H17 UNL     1       7.376   2.067   1.304  1.00  0.00           H  
HETATM   45  H18 UNL     1       6.699   2.220   2.936  1.00  0.00           H  
HETATM   46  H19 UNL     1       2.613   4.037   0.710  1.00  0.00           H  
HETATM   47  H20 UNL     1       3.080  -2.505  -1.760  1.00  0.00           H  
HETATM   48  H21 UNL     1       2.027  -0.291  -3.221  1.00  0.00           H  
HETATM   49  H22 UNL     1       1.136  -3.604  -1.457  1.00  0.00           H  
HETATM   50  H23 UNL     1       0.860  -2.260  -3.839  1.00  0.00           H  
CONECT    1    2   28   29   30
CONECT    2    3   10
CONECT    3    4   31   32
CONECT    4    5   33   34
CONECT    5    6    7   35
CONECT    6   36   37
CONECT    7    8    8    9
CONECT    9   38
CONECT   10   11   39   40
CONECT   11   12   26   41
CONECT   12   13
CONECT   13   14   24   42
CONECT   14   15   23
CONECT   15   16   16   43
CONECT   16   17
CONECT   17   18   18   23
CONECT   18   19   20
CONECT   19   44   45
CONECT   20   21   21
CONECT   21   22   46
CONECT   22   23   23
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   27   49
CONECT   27   50
END

HMDB0011118
     RDKit          3D
Se-Adenosylselenomethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.7213    0.1218    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.4785    1.0693 Se  0  0  0  0  0  3  0  0  0  0  0  0
   -3.5597   -0.8588    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0322    0.3071    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3871    0.8112    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7203    1.9465    1.7043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4285    1.2805   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2609    0.5148   -1.5386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6613    2.6209   -0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -2.6057   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0899   -1.7922   -0.9848 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0640   -1.3470   -0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.7938   -0.9493 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1994   -0.3709   -0.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -1.1013   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128   -0.3212    0.6361 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7074    0.9053    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373    2.0463    1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5230    2.1190    1.9251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    3.1537    1.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372    3.1336    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    2.0152    0.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4595    0.8632    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -1.8534   -1.9929 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3829   -1.2299   -3.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984   -2.6165   -1.9471 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3271   -2.7559   -3.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    0.5599    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795   -0.1875    1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882    0.8568    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963   -0.6004   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2789   -1.6940    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    1.1550    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226    0.0345    2.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1719    0.0409    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8246    2.3838    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2680    1.6134    2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110    2.8769   -1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -3.5079    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -2.8962   -0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -0.9203   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.0616   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -2.1539   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    2.0670    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    2.2201    2.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129    4.0370    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -2.5049   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   -0.2909   -3.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361   -3.6044   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602   -2.2603   -3.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  6
 13 42  1  6
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  1
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  CHG  1   2   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₅H₂₃N₆O₅Se

Average Molecular Weight

446.34

Monoisotopic Molecular Weight

447.089514704

IUPAC Name

(3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium

Traditional Name

se-adenosylselenomethionine

CAS Registry Number

Not Available

SMILES

C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N

InChI Identifier

InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1

InChI Key

GGJFWMOVUFBSIN-YDBXVIPQSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

5'-deoxyribonucleosides

Sub Class

Not Available

Direct Parent

5'-deoxyribonucleosides

Alternative Parents

Substituents

5'-deoxyribonucleoside
N-glycosyl compound
Glycosyl compound
Pentose monosaccharide
6-aminopurine
Alpha-amino acid
Alpha-amino acid or derivatives
Imidazopyrimidine
Purine
Aminopyrimidine
N-substituted imidazole
Monosaccharide
Pyrimidine
Imidolactam
Imidazole
Tetrahydrofuran
Heteroaromatic compound
Azole
Secondary alcohol
1,2-diol
Amino acid or derivatives
Amino acid
Oxacycle
Azacycle
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Selenoether
Monocarboxylic acid or derivatives
Organic oxide
Organopnictogen compound
Alcohol
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Amine
Primary amine
Primary aliphatic amine
Hydrocarbon derivative
Organoselenium compound
Organooxygen compound
Organonitrogen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0011118)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Selenoamino Acid Metabolism (PathBank: SMP0063587)
Selenoamino Acid Metabolism (HMDB: HMDB0011118)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.79 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-5.1	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	1.6	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	182.63 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	103.59 m³·mol⁻¹	ChemAxon
Polarizability	39.61 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	181.776	30932474
DeepCCS	[M-H]-	179.38	30932474
DeepCCS	[M-2H]-	212.689	30932474
DeepCCS	[M+Na]+	188.189	30932474
AllCCS	[M+H]+	192.8	32859911
AllCCS	[M+H-H2O]+	191.0	32859911
AllCCS	[M+NH4]+	194.4	32859911
AllCCS	[M+Na]+	194.8	32859911
AllCCS	[M-H]-	175.8	32859911
AllCCS	[M+Na-2H]-	175.9	32859911
AllCCS	[M+HCOO]-	176.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosylselenomethionine	C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	3942.3	Standard polar	33892256
Se-Adenosylselenomethionine	C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	3038.9	Standard non polar	33892256
Se-Adenosylselenomethionine	C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N	3759.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosylselenomethionine,1TMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3473.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TMS,isomer #2	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3540.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TMS,isomer #3	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3545.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TMS,isomer #4	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3579.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TMS,isomer #5	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3596.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3416.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3555.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #11	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3591.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #12	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3523.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #2	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3417.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #3	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3429.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #4	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3456.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #5	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3423.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3469.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #7	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3507.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #8	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3467.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TMS,isomer #9	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3502.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3352.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #10	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3431.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #11	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3473.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3502.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #13	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3427.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #14	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3479.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #15	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3515.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #16	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3439.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #17	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3600.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #18	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3496.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #2	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3354.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #3	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3420.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #4	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3368.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #5	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3423.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3437.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #7	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3509.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #8	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3423.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TMS,isomer #9	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3375.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3311.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3322.9	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4839.7	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3409.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3400.4	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4435.1	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #11	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3428.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #11	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3433.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #11	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4730.7	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3437.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3447.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4928.9	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #13	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3399.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #13	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3405.1	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #13	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4818.1	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #14	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3533.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #14	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3519.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #14	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4822.0	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #15	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3429.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #15	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3440.0	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #15	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4469.4	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #16	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3542.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #16	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3505.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #16	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4786.3	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #17	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3437.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #17	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3431.4	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #17	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4430.0	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #18	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3584.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #18	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3542.3	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #18	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4593.4	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #2	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3396.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #2	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3349.9	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #2	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4959.4	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #3	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3396.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #3	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3391.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #3	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4689.8	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3466.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3425.2	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4914.8	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #5	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3399.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #5	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3375.8	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #5	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4673.9	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3406.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3380.8	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4650.9	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #7	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3476.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #7	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3410.9	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #7	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4894.0	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #8	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3406.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #8	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3368.7	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #8	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4649.6	Standard polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #9	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3556.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #9	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3482.3	Standard non polar	33892256
Se-Adenosylselenomethionine,4TMS,isomer #9	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4819.7	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3388.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3410.0	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #1	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4371.3	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3414.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3430.5	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4157.7	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #11	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3557.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #11	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3518.7	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #11	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4260.8	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3560.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3511.1	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4226.8	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #2	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3452.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #2	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3411.1	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #2	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4722.5	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #3	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3411.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #3	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3353.9	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #3	C[Se+](CCC(N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4456.5	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3534.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3492.7	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4485.8	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #5	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3400.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #5	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3387.9	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #5	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4114.2	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #6	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3539.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #6	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3481.1	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #6	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4450.4	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #7	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3407.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #7	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3384.4	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #7	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	4074.4	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #8	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3576.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #8	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3488.1	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #8	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4253.1	Standard polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #9	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3511.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #9	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3519.2	Standard non polar	33892256
Se-Adenosylselenomethionine,5TMS,isomer #9	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4500.3	Standard polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #1	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3541.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #1	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3485.5	Standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #1	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4239.3	Standard polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #2	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3432.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #2	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3377.7	Standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #2	C[Se+](CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3845.6	Standard polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #3	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3576.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #3	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3465.7	Standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #3	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3965.2	Standard polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3582.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3458.7	Standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #4	C[Se+](CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3927.4	Standard polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #5	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3558.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #5	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3491.4	Standard non polar	33892256
Se-Adenosylselenomethionine,6TMS,isomer #5	C[Se+](CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3982.3	Standard polar	33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3719.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #2	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3753.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #3	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3755.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #4	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3793.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,1TBDMS,isomer #5	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3797.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3865.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #10	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3941.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #11	C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4007.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #12	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3882.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #2	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3864.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #3	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3850.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #4	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3865.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #5	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3864.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3892.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #7	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3888.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #8	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3889.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,2TBDMS,isomer #9	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3884.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #1	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3976.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #10	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3992.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #11	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4012.3	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #12	C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4122.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #13	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4000.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #14	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4010.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #15	C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4123.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #16	C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4002.6	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #17	C[Se+](CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4159.8	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #18	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4018.9	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #2	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3938.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #3	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3979.5	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #4	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3941.1	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #5	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3978.7	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #6	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3968.0	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #7	C[Se+](CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4074.4	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #8	C[Se+](CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	3961.2	Semi standard non polar	33892256
Se-Adenosylselenomethionine,3TBDMS,isomer #9	C[Se+](CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3976.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (Non-derivatized) - 70eV, Positive	splash10-054o-4930100000-0041602079c881f35249	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (3 TMS) - 70eV, Positive	splash10-0002-6461009000-23d3936ab6dca5b41525	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenomethionine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 10V, Positive-QTOF	splash10-0fdk-1111900000-55d8b11590c505925542	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 20V, Positive-QTOF	splash10-000i-0900100000-9e48eb33b69c552c3bfd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 40V, Positive-QTOF	splash10-002s-1900000000-e957401a05c2eed92d7b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 10V, Positive-QTOF	splash10-0002-0200900000-449ba819bd316d43da5f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 20V, Positive-QTOF	splash10-000i-0901000000-ab97c005ef418a07d3c1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenomethionine 40V, Positive-QTOF	splash10-0a4r-2900000000-942f4bdddc395ff80eab	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Selenocompound metabolism	Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB027900

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24892761

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

SEASMET

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. S-adenosylmethionine synthase isoform type-2

General function:: Involved in methionine adenosyltransferase activity
Specific function:: Catalyzes the formation of S-adenosylmethionine from methionine and ATP.
Gene Name:: MAT2A
Uniprot ID:: P31153
Molecular weight:: 43660.37

Reactions

Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethionine	details

Enzyme Details

2. S-adenosylmethionine synthase isoform type-1

General function:: Involved in methionine adenosyltransferase activity
Specific function:: Catalyzes the formation of S-adenosylmethionine from methionine and ATP.
Gene Name:: MAT1A
Uniprot ID:: Q00266
Molecular weight:: 43647.6

Reactions

Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethionine	details

Enzyme Details

3. Protein arginine N-methyltransferase 3

General function:: Involved in protein methyltransferase activity
Specific function:: Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:: PRMT3
Uniprot ID:: O60678
Molecular weight:: 59902.7

Enzyme Details

4. Methionine adenosyltransferase 2 subunit beta

General function:: Involved in dTDP-4-dehydrorhamnose reductase activity
Specific function:: Non-catalytic regulatory subunit of S-adenosylmethionine synthetase 2 (MAT2A), an enzyme that catalyzes the formation of S-adenosylmethionine from methionine and ATP. Regulates the activity of S-adenosylmethionine synthetase 2 by changing its kinetic properties, rendering the enzyme more susceptible to S-adenosylmethionine inhibition.
Gene Name:: MAT2B
Uniprot ID:: Q9NZL9
Molecular weight:: Not Available

Reactions

Adenosine triphosphate + Selenomethionine + Water → Phosphate + Pyrophosphate + Se-Adenosylselenomethionine	details

Enzyme Details

5. HemK methyltransferase family member 1

General function:: Not Available
Specific function:: N5-glutamine methyltransferase responsible for the methylation of the GGQ triplet of the mitochondrial translation release factor MTRF1L.
Gene Name:: HEMK1
Uniprot ID:: Q9Y5R4
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

6. Methyltransferase-like protein 2B

General function:: Not Available
Specific function:: Probable methyltransferase (By similarity).
Gene Name:: METTL2B
Uniprot ID:: Q6P1Q9
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

7. Methyltransferase-like protein 6

General function:: Not Available
Specific function:: Probable methyltransferase (By similarity).
Gene Name:: METTL6
Uniprot ID:: Q8TCB7
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

8. Uncharacterized methyltransferase WBSCR22

General function:: Not Available
Specific function:: Methyltransferase that may act on DNA.
Gene Name:: WBSCR22
Uniprot ID:: O43709
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Showing metabocard for Se-Adenosylselenomethionine (HMDB0011118)

MOL for HMDB0011118 (Se-Adenosylselenomethionine)

3D MOL for HMDB0011118 (Se-Adenosylselenomethionine)

3D SDF for HMDB0011118 (Se-Adenosylselenomethionine)

3D-SDF for HMDB0011118 (Se-Adenosylselenomethionine)

PDB for HMDB0011118 (Se-Adenosylselenomethionine)

3D PDB for HMDB0011118 (Se-Adenosylselenomethionine)

SMILES for HMDB0011118 (Se-Adenosylselenomethionine)

INCHI for HMDB0011118 (Se-Adenosylselenomethionine)

Structure for HMDB0011118 (Se-Adenosylselenomethionine)

3D Structure for HMDB0011118 (Se-Adenosylselenomethionine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

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