Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110192
Identification
Name: 5-phospho-β-D-ribosylamine
Description:Not Available
Structure
Thumb
Synonyms:
  • 5-P-β-D-ribosylamine
  • PRA
  • 5-phosphoribosylamine
Chemical Formula: C5H11NO7P
Average Molecular Weight: 230.0429632872
Monoisotopic Molecular Weight: 230.0429632872
InChI Key: SKCBPEVYGOQGJN-TXICZTDVSA-M
InChI: 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)/p-1/t2-,3-,4-,5-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(OP([O-])(=O)[O-])C1(C(O)C(O)C([N+])O1)
Chemical Taxonomy
Taxonomy DescriptionThis compound 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 ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass228.1171ChemAxon
logP-1.3604ChemAxon
H-bond acceptors8ChemAxon
H-bond donors4ChemAxon
Rotatable bonds3ChemAxon
PSA155.1100ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity40.6908ChemAxon
Atoms25ChemAxon
Rings1ChemAxon
Heavy atoms14ChemAxon
Hydrogen atoms11ChemAxon
Heteroatoms9ChemAxon
N/O atoms8ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers4ChemAxon
R/S chiral centers4ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
  • superpathway of purine nucleotides de novo biosynthesis IIDENOVOPURINE2-PWY
  • 5-aminoimidazole ribonucleotide biosynthesis IIPWY-6122
  • 5-aminoimidazole ribonucleotide biosynthesis IPWY-6121
  • superpathway of 5-aminoimidazole ribonucleotide biosynthesisPWY-6277
  • superpathway of purine nucleotides de novo biosynthesis IPWY-841
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCyc5-P-BETA-D-RIBOSYL-AMINE