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enzymes (2) Show 2 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:18:55 UTC

HMDB ID

HMDB0001128

Secondary Accession Numbers

HMDB0002347
HMDB01128
HMDB02347

Metabolite Identification

Common Name

5-Phosphoribosylamine

Description

5-Phosphoribosylamine 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. 5-Phosphoribosylamine exists in all eukaryotes, ranging from yeast to plants to humans. In humans, 5-phosphoribosylamine is involved in the metabolic disorder called the lesch-nyhan syndrome (lns) pathway. 5-Phosphoribosylamine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 5-phosphoribosylamine a potential biomarker for the consumption of these foods. 5-Phosphoribosylamine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on 5-Phosphoribosylamine.

Structure

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


  Mrv0541 02231218562D          

 14 14  0  0  1  0            999 V2000
   -1.5779    0.9195    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493    0.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3991    0.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742    1.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817    0.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006   -0.1476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4502   -0.9346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8590    0.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -0.9346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0379   -1.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5326   -0.1476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7596   -1.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    0.3179    0.0000 N   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
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
 10 13  1  6  0  0  0
 12 14  1  1  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001128

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <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)/t2-,3-,4-,5-/m1/s1

> <INCHI_KEY>
SKCBPEVYGOQGJN-TXICZTDVSA-N

> <FORMULA>
C5H12NO7P

> <MOLECULAR_WEIGHT>
229.125

> <EXACT_MASS>
229.035138255

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
18.663161093312503

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-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>
6.243630161593156

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2256230940421675

> <JCHEM_PKA_STRONGEST_BASIC>
8.000221098750375

> <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>
5-phospho-β-D-ribosylamine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  P   UNK     0      -2.945   1.716   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      -1.399   1.709   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      -4.478   1.716   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -2.939   3.249   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -2.953   0.177   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.088   0.205   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.374  -0.276   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.840  -1.745   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.603   0.621   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.380  -1.745   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.071  -2.981   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.861  -0.276   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.285  -2.981   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       4.528   0.593   0.000  0.00  0.00           N+0
CONECT    1    2    3    4    5                                             
CONECT    2    1    6                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    1                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7   10   11                                                  
CONECT    9    7   12                                                       
CONECT   10    8   13   12                                                  
CONECT   11    8                                                            
CONECT   12    9   14   10                                                  
CONECT   13   10                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
5-Phospho-D-ribosylamine	ChEBI
5-Phosphoribosyl-1-amine	ChEBI
5-Phospho-beta-D-ribosylamine	Kegg
5-Phospho-b-D-ribosylamine	Generator
5-Phospho-β-D-ribosylamine	Generator
5-P-beta-D-Ribosyl-amine	HMDB
5-Phospho-beta-D-ribosyl-amine	HMDB
PRA	HMDB
Phosphoribosyl-1-amine	HMDB
Phosphoribosylamine	HMDB
beta-Phosphoribosyl-1-amine	HMDB
β-Phosphoribosyl-1-amine	HMDB

Chemical Formula

C₅H₁₂NO₇P

Average Molecular Weight

229.125

Monoisotopic Molecular Weight

229.035138255

IUPAC Name

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

Traditional Name

5-phospho-β-D-ribosylamine

CAS Registry Number

6062-06-2

SMILES

N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

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)/t2-,3-,4-,5-/m1/s1

InChI Key

SKCBPEVYGOQGJN-TXICZTDVSA-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

5-phospho-D-ribosylamine (CHEBI:37737 )

Ontology

Physiological effect

Adverse health effect

Genetic disorder

Inborn errors of metabolism

Organic acidemia

Succinic semialdehyde dehydrogenase deficiency

Ingestion

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

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 Spectral Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	38.2 g/L	ALOGPS
logP	10^(-2.4) g/L	ALOGPS
logP	10^(-3.5) g/L	ChemAxon
logS	10^(-0.78) g/L	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	18.66 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 Spectral Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	150.559	31661259
DarkChem	[M+H]+	150.559	31661259
DarkChem	[M-H]-	146.657	31661259
DarkChem	[M-H]-	146.657	31661259
AllCCS	[M+H]+	150.02	32859911
AllCCS	[M-H]-	140.57	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-Phosphoribosylamine,1TMS,#1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N)[C@@H]1O	2107.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TMS,#2	C[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O)[C@H]1O	2109.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TMS,#3	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O	2097.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TMS,#4	C[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	2164.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#1	C[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C	2099.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N)[C@@H]1O	2145.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#3	C[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	2129.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#4	C[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H]1O	2137.5	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#5	C[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	2135.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2116.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#7	C[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2205.4	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TMS,#8	C[Si](C)(C)N([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	2204.7	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TBDMS,#1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N)[C@@H]1O	2352.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TBDMS,#2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O)[C@H]1O	2366.6	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TBDMS,#3	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O	2352.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,1TBDMS,#4	CC(C)(C)[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	2390.8	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	2533.9	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N)[C@@H]1O	2589.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#3	CC(C)(C)[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2561.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](N)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	2596.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#5	CC(C)(C)[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2562.3	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#6	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	2570.2	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#7	CC(C)(C)[Si](C)(C)N[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2650.0	Semi standard non polar	https://arxiv.org/abs/1905.12712
5-Phosphoribosylamine,2TBDMS,#8	CC(C)(C)[Si](C)(C)N([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	2629.5	Semi standard non polar	https://arxiv.org/abs/1905.12712

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Phosphoribosylamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-002b-9200000000-1c4fff9bc3c106e53faa	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Phosphoribosylamine GC-MS (2 TMS) - 70eV, Positive	splash10-03dj-9741000000-81d2b48c346eaf5bd609	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Phosphoribosylamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Phosphoribosylamine 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 - 5-Phosphoribosylamine 10V, Positive-QTOF	splash10-001i-2490000000-890344ea8a2dc31a68cd	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 20V, Positive-QTOF	splash10-01q9-8950000000-3968c4c6838390005385	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 40V, Positive-QTOF	splash10-0007-9100000000-696f573fba92b8542f35	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 10V, Negative-QTOF	splash10-004i-9040000000-95218a5e49093dd3dec6	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 20V, Negative-QTOF	splash10-004i-9000000000-909c9da9ed8687627fbe	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 40V, Negative-QTOF	splash10-004i-9000000000-d063b8fd7634dcdf6580	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 10V, Positive-QTOF	splash10-03e9-0900000000-a28a2870d14f9b514efa	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 20V, Positive-QTOF	splash10-03yi-2900000000-3f959957fd3503d8f28b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 40V, Positive-QTOF	splash10-052b-9000000000-69bd1484fc7665f256af	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 10V, Negative-QTOF	splash10-004i-8090000000-2ebfcb2a817d0e5198a2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 20V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Phosphoribosylamine 40V, Negative-QTOF	splash10-004i-9000000000-a5e502a2627af2048a1f	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)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Glutamate Metabolism
Purine metabolism	Not Available
Adenosine Deaminase Deficiency		Not Available
Adenylosuccinate Lyase Deficiency		Not Available
Gout or Kelley-Seegmiller Syndrome		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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

5-P-BETA-D-RIBOSYL-AMINE

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

37737

Food Biomarker Ontology

Not Available

VMH ID

PRAM

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Kamal MA, Christopherson RI: Accumulation of 5-phosphoribosyl-1-pyrophosphate in human CCRF-CEM leukaemia cells treated with antifolates. Int J Biochem Cell Biol. 2004 Mar;36(3):545-51. [PubMed:14687931 ]

Enzymes

Enzyme Details

1. Trifunctional purine biosynthetic protein adenosine-3

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GART
Uniprot ID:: P22102
Molecular weight:: 107766.295

Reactions

Adenosine triphosphate + 5-Phosphoribosylamine + Glycine → ADP + Phosphate + Glycineamideribotide	details
Adenosine triphosphate + 5-Phosphoribosylamine + Glycine → ADP + Phosphate + Glycineamideribotide	details

Enzyme Details

2. Amidophosphoribosyltransferase

General function:: Involved in amidophosphoribosyltransferase activity
Specific function:: Not Available
Gene Name:: PPAT
Uniprot ID:: Q06203
Molecular weight:: 57398.52

Reactions

5-Phosphoribosylamine + Pyrophosphate + L-Glutamic acid → L-Glutamine + Phosphoribosyl pyrophosphate + Water	details

Showing metabocard for 5-Phosphoribosylamine (HMDB0001128)

MOL for HMDB0001128 (5-Phosphoribosylamine)

3D MOL for HMDB0001128 (5-Phosphoribosylamine)

3D SDF for HMDB0001128 (5-Phosphoribosylamine)

3D-SDF for HMDB0001128 (5-Phosphoribosylamine)

PDB for HMDB0001128 (5-Phosphoribosylamine)

3D PDB for HMDB0001128 (5-Phosphoribosylamine)

SMILES for HMDB0001128 (5-Phosphoribosylamine)

INCHI for HMDB0001128 (5-Phosphoribosylamine)

Structure for HMDB0001128 (5-Phosphoribosylamine)

3D Structure for HMDB0001128 (5-Phosphoribosylamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions