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CHEBI:77657 - 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−)

ChEBI IDCHEBI:77657
ChEBI Name5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−)
Stars
ASCII Name5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-)
DefinitionAn organophosphate oxoanion that is the major structure at pH 7.3 of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid.
Last Modified17 April 2014
SubmitterKAX
DownloadsMolfile

FormulaC9H12N3O9P
Net Charge-2
Average Mass337.181
Monoisotopic Mass337.03221
SMILESNc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/p-2/t3-,5-,6-,8-/m1/s1
InChIKeyXFVULMDJZXYMSG-ZIYNGMLESA-L

ChEBI Ontology
IUPAC Name 
5-amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate
UniProt Name  Source
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylateUniProt