2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one (PAMDB110144)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110144
Identification
Name: 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine
  • DARP
  • 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate
  • 2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate
  • 2,5-diamino-6-(D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate
Chemical Formula: C9H14N5O8P
Average Molecular Weight: 351.21
Monoisotopic Molecular Weight: 353.0736490264
InChI Key: OCLCLRXKNJCOJD-UMMCILCDSA-L
InChI: InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/p-2/t2-,4-,5-,8-/m1/s1
CAS number: Not Available
IUPAC Name:1-deoxy-1-[(2,5-diamino-6-hydroxypyrimidin-3-yl)amino]-β-D-ribofuranose 5-(dihydrogen phosphate)
Traditional IUPAC Name: Not Available
SMILES:C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]
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
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Hydropyrimidine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Imidolactam
  • Pyrimidine
  • Alkyl phosphate
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Lactam
  • 1,2-diol
  • Secondary amine
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Alcohol
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight351.212 g/molPubChem
XLogP3-AA-4.9 PubChem
Hydrogen Bond Donor Count6 PubChem
Hydrogen Bond Acceptor Count10 PubChem
Rotatable Bond Count4 PubChem
Exact Mass351.058 g/molPubChem
Monoisotopic Mass351.058 g/molPubChem
Topological Polar Surface Area228 A^2PubChem
Heavy Atom Count23 PubChem
Formal Charge-2 PubChem
Complexity591 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI927
IAF12601446959
KEGGC01304
PubChem25244331