Record Information
Version1.0
Creation date2011-09-21 00:14:02 UTC
Update date2015-07-21 06:57:12 UTC
Primary IDFDB022441
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name5-Phosphoribosylamine
Description5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3. [HMDB]
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
5-O-b-D-RibosylamineGenerator
5-O-beta-D-Ribosyl-amineHMDB
5-O-beta-D-RibosylamineChEBI
5-O-beta-delta-Ribosyl-amineHMDB
5-O-beta-delta-RibosylamineHMDB
5-O-D-RibosylamineHMDB
5-O-delta-RibosylamineHMDB
5-O-β-D-ribosylamineGenerator
5-OribosylamineHMDB
5-P-beta-D-ribosyl-aminehmdb
5-P-beta-delta-ribosyl-aminehmdb
5-phospho-beta-D-ribosyl-aminehmdb
5-phospho-beta-D-ribosylaminehmdb
5-phospho-beta-delta-ribosyl-aminehmdb
5-phospho-beta-delta-ribosylaminehmdb
5-phospho-D-ribosylaminehmdb
5-phospho-delta-ribosylaminehmdb
5-phosphoribosylaminehmdb
PRAhmdb
Predicted Properties
PropertyValueSource
Water Solubility38.2 g/LALOGPS
logP-2.4ALOGPS
logP-3.5ChemAxon
logS-0.78ALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area142.47 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity42.49 m³·mol⁻¹ChemAxon
Polarizability18.66 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC5H12NO7P
IUPAC name{[(2R,3S,4R,5R)-5-amino-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
InChI IdentifierInChI=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 KeyInChIKey=SKCBPEVYGOQGJN-TXICZTDVSA-N
Isomeric SMILES[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N([H])[H])C([H])([H])OP(=O)(O[H])O[H]
Average Molecular Weight229
Monoisotopic Molecular Weight229
Classification
DescriptionThis compound belongs to the class of chemical entities known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Oxolane
  • Secondary alcohol
  • 1,2-diol
  • Hemiaminal
  • Organoheterocyclic compound
  • Oxacycle
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-002b-9200000000-1c4fff9bc3c106e53faaView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-03dj-9741000000-81d2b48c346eaf5bd609View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-2490000000-890344ea8a2dc31a68cdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01q9-8950000000-3968c4c6838390005385View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0007-9100000000-696f573fba92b8542f35View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9040000000-95218a5e49093dd3dec6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-909c9da9ed8687627fbeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-d063b8fd7634dcdf6580View in MoNA
ChemSpider ID388939
ChEMBL IDNot Available
KEGG Compound IDC03090
Pubchem Compound ID439905
Pubchem Substance IDNot Available
ChEBI ID17284
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01128
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID41182
KNApSAcK IDNot Available
HET IDGRF
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia ID5-phosphoribosylamine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Trifunctional purine biosynthetic protein adenosine-3GARTP22102
Pathways
NameSMPDB LinkKEGG Link
Glutamate MetabolismSMP00072 map00250
Purine MetabolismSMP00050 map00230
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference