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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 04:28:58 UTC

Update Date

2022-03-07 03:17:56 UTC

HMDB ID

HMDB0062576

Secondary Accession Numbers

HMDB62576

Metabolite Identification

Common Name

5-phospho-beta-D-ribosylaminium(1-)

Description

[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Based on a literature review very few articles have been published on [(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid.

Structure

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


  Mrv1652305171801062D          

 14 14  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6145   -2.2438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995   -2.9112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471   -2.7287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -1.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12  1  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062576

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1OC(COP(O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)

> <INCHI_KEY>
SKCBPEVYGOQGJN-UHFFFAOYSA-N

> <FORMULA>
C5H12NO7P

> <MOLECULAR_WEIGHT>
229.125

> <EXACT_MASS>
229.035138728

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.521822478057533

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid

> <ALOGPS_LOGP>
-2.39

> <JCHEM_LOGP>
-3.545345242649598

> <ALOGPS_LOGS>
-0.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.243630161593158

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2256230940421675

> <JCHEM_PKA_STRONGEST_BASIC>
8.000221098750373

> <JCHEM_POLAR_SURFACE_AREA>
142.47

> <JCHEM_REFRACTIVITY>
42.491299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.82e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosphoribosylamine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.060   3.620   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0       2.306   1.175   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.735  -1.536   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.109  -2.943   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0       3.014  -4.188   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0       3.919  -5.434   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.768  -5.094   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.615  -1.536   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.651   1.651   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.260  -3.283   0.000  0.00  0.00           O+0
CONECT    1    2    3   12                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   14                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    4   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13    1                                                  
CONECT   13   12                                                            
CONECT   14    7                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

COMPND    HMDB0062576
HETATM    1  N1  UNL     1       3.325   0.495   1.282  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.983   0.690   0.769  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.109  -0.026   1.544  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.184  -0.641   0.745  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.130   0.109   0.679  1.00  0.00           C  
HETATM    6  O2  UNL     1      -2.006  -0.586  -0.151  1.00  0.00           O  
HETATM    7  P1  UNL     1      -3.456   0.284  -0.197  1.00  0.00           P  
HETATM    8  O3  UNL     1      -4.179   0.092  -1.507  1.00  0.00           O  
HETATM    9  O4  UNL     1      -4.410  -0.286   1.097  1.00  0.00           O  
HETATM   10  O5  UNL     1      -3.079   1.914   0.025  1.00  0.00           O  
HETATM   11  C4  UNL     1       0.733  -0.738  -0.646  1.00  0.00           C  
HETATM   12  O6  UNL     1       1.137  -2.050  -0.936  1.00  0.00           O  
HETATM   13  C5  UNL     1       1.919   0.179  -0.629  1.00  0.00           C  
HETATM   14  O7  UNL     1       3.071  -0.522  -0.995  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.036   0.919   0.663  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.449   0.847   2.245  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.670   1.767   0.822  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.027  -1.677   1.090  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.544   0.152   1.705  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.022   1.126   0.302  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.533  -1.268   0.915  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.171   2.203   0.966  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.024  -0.450  -1.432  1.00  0.00           H  
HETATM   24  H10 UNL     1       1.313  -2.570  -0.123  1.00  0.00           H  
HETATM   25  H11 UNL     1       1.750   1.043  -1.324  1.00  0.00           H  
HETATM   26  H12 UNL     1       2.854  -1.007  -1.826  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   13   17
CONECT    3    4
CONECT    4    5   11   18
CONECT    5    6   19   20
CONECT    6    7
CONECT    7    8    8    9   10
CONECT    9   21
CONECT   10   22
CONECT   11   12   13   23
CONECT   12   24
CONECT   13   14   25
CONECT   14   26
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
[(5-Amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonate	Generator
5-Phospho-b-D-ribosylaminium(1-)	Generator
5-Phospho-β-D-ribosylaminium(1-)	Generator

Chemical Formula

C₅H₁₂NO₇P

Average Molecular Weight

229.125

Monoisotopic Molecular Weight

229.035138728

IUPAC Name

[(5-amino-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid

Traditional Name

phosphoribosylamine

CAS Registry Number

Not Available

SMILES

NC1OC(COP(O)(O)=O)C(O)C1O

InChI Identifier

InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)

InChI Key

SKCBPEVYGOQGJN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Monosaccharide phosphate
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Tetrahydrofuran
Secondary alcohol
1,2-diol
Hemiaminal
Organoheterocyclic compound
Oxacycle
Alcohol
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	65.5 g/l	ALOGPS
LogP	-1.46	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.4	ALOGPS
logP	-3.5	ChemAxon
logS	-0.78	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	142.47 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	42.49 m³·mol⁻¹	ChemAxon
Polarizability	18.52 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	145.366	30932474
DeepCCS	[M-H]-	142.97	30932474
DeepCCS	[M-2H]-	178.696	30932474
DeepCCS	[M+Na]+	154.011	30932474
AllCCS	[M+H]+	150.0	32859911
AllCCS	[M+H-H2O]+	146.2	32859911
AllCCS	[M+NH4]+	153.6	32859911
AllCCS	[M+Na]+	154.6	32859911
AllCCS	[M-H]-	140.6	32859911
AllCCS	[M+Na-2H]-	141.2	32859911
AllCCS	[M+HCOO]-	142.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-phospho-beta-D-ribosylaminium(1-)	NC1OC(COP(O)(O)=O)C(O)C1O	2840.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-)	NC1OC(COP(O)(O)=O)C(O)C1O	2035.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-)	NC1OC(COP(O)(O)=O)C(O)C1O	2200.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N)C1O	2162.6	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #2	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O	2175.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OCC1OC(N)C(O)C1O	2172.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O	2288.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O[Si](C)(C)C	2160.4	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N)C1O	2191.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #3	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	2257.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #4	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O	2199.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #5	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	2243.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #6	C[Si](C)(C)OP(=O)(OCC1OC(N)C(O)C1O)O[Si](C)(C)C	2158.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #7	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	2297.2	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TMS,isomer #8	C[Si](C)(C)N(C1OC(COP(=O)(O)O)C(O)C1O)[Si](C)(C)C	2339.2	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2207.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2081.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C)C1O[Si](C)(C)C	2925.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	2338.6	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	2304.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	2913.7	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2244.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2211.0	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2912.3	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O	2195.9	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O	2103.8	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N)C1O	2854.8	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2295.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2192.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2804.8	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2317.2	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2294.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	3085.4	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2199.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2150.4	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #6	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O	2848.7	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2278.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2228.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #7	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2785.6	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C	2317.9	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C	2302.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #8	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C)[Si](C)(C)C	3090.6	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2289.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2252.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TMS,isomer #9	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	2681.1	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2200.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2151.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #1	C[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1O[Si](C)(C)C	2677.8	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2282.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2268.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #2	C[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2526.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2288.6	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2341.4	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2751.8	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2287.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2299.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #4	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2484.1	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2290.9	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2340.8	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2690.0	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2271.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2342.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #6	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2478.4	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2295.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2358.8	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #7	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2694.7	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	2310.6	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	2400.3	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	2599.3	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2278.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2324.0	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #1	C[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2294.6	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2282.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2348.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2457.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2297.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2408.4	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O	2436.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2300.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2423.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TMS,isomer #4	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N([Si](C)(C)C)[Si](C)(C)C	2442.1	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2298.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2400.2	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),6TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N([Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	2278.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N)C1O	2423.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O	2431.2	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N)C(O)C1O	2407.6	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O	2512.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O)C1O[Si](C)(C)C(C)(C)C	2629.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N)C1O	2643.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	2714.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O	2646.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	2696.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N)C(O)C1O)O[Si](C)(C)C(C)(C)C	2610.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	2732.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1OC(COP(=O)(O)O)C(O)C1O)[Si](C)(C)C(C)(C)C	2754.4	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2847.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2721.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3093.8	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	2982.9	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	2916.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3117.3	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2861.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2865.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3133.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O	2851.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O	2712.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N)C1O	3033.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2949.9	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2835.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3033.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	2947.2	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	2940.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3238.6	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	2838.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	2758.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O	3014.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2921.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2854.8	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3019.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2940.0	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2944.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3243.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	2950.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	2844.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	2947.0	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3022.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2892.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(N)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2947.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3093.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3034.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2877.7	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3108.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3112.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3005.6	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3129.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3042.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2847.0	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3164.5	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3111.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	2955.9	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3107.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3068.5	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2843.2	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3148.4	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3117.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2961.0	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	3166.8	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	3127.0	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	2908.5	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3253.4	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3179.6	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2791.2	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3316.3	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3231.7	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2862.4	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3310.7	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3256.9	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	2848.4	Standard polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3300.1	Semi standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3262.1	Standard non polar	33892256
5-phospho-beta-D-ribosylaminium(1-),5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2857.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ot-9200000000-7ebbedc677677910c9ad	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) GC-MS (TBDMS_2_6) - 70eV, Positive	Not Available	2021-11-05	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 - 5-phospho-beta-D-ribosylaminium(1-) 10V, Positive-QTOF	splash10-001i-2490000000-23f2f835f8e7cb767f60	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Positive-QTOF	splash10-01qa-8940000000-f56855aba948a9727758	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Positive-QTOF	splash10-0005-9000000000-c61f58a14af585f8d9cb	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Negative-QTOF	splash10-004i-9050000000-398054c67ebb760adb56	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Negative-QTOF	splash10-004i-9000000000-b59769ff8311cdc9ad5d	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Negative-QTOF	splash10-004i-9000000000-35e6b85ade345c9d5a90	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Negative-QTOF	splash10-004i-8090000000-2ebfcb2a817d0e5198a2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 10V, Positive-QTOF	splash10-03e9-0900000000-a28a2870d14f9b514efa	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 20V, Positive-QTOF	splash10-03yi-2900000000-3f959957fd3503d8f28b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phospho-beta-D-ribosylaminium(1-) 40V, Positive-QTOF	splash10-052b-9000000000-69bd1484fc7665f256af	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

145

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

150

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

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

Showing metabocard for 5-phospho-beta-D-ribosylaminium(1-) (HMDB0062576)

MOL for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

3D MOL for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

3D SDF for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

3D-SDF for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

PDB for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

3D PDB for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

SMILES for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

INCHI for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

Structure for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

3D Structure for HMDB0062576 (5-phospho-beta-D-ribosylaminium(1-))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra