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CHEBI:137981 - 5-amino-1-(5-phosphonato-β-D-ribosyl)imidazol-3-ium

ChEBI IDCHEBI:137981
ChEBI Name5-amino-1-(5-phosphonato-β-D-ribosyl)imidazol-3-ium
Stars
ASCII Name5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-β-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified28 September 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H13N3O7P
Net Charge-1
Average Mass294.180
Monoisotopic Mass294.04966
SMILESNc1c[nH+]cn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/p-1/t4-,6-,7-,8-/m1/s1
InChIKeyPDACUKOKVHBVHJ-XVFCMESISA-M
ChEBI Ontology
Outgoing Relation(s)
5-amino-1-(5-phosphonato-β-D-ribosyl)imidazol-3-ium (CHEBI:137981) is a organophosphate oxoanion (CHEBI:58945)
5-amino-1-(5-phosphonato-β-D-ribosyl)imidazol-3-ium (CHEBI:137981) is conjugate base of 5-amino-1-(5-phospho-β-D-ribosyl)imidazole (CHEBI:138560)
Incoming Relation(s)
5-amino-1-(5-phospho-β-D-ribosyl)imidazole (CHEBI:138560) is conjugate acid of 5-amino-1-(5-phosphonato-β-D-ribosyl)imidazol-3-ium (CHEBI:137981)
IUPAC Name 
5-amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium
UniProt Name  Source
5-amino-1-(5-phospho-β-D-ribosyl)imidazoleUniProt
Manual XrefsDatabases
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLEMetaCyc
Citations