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CHEBI:57903 - [1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−)

ChEBI IDCHEBI:57903
ChEBI Name[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−)
Stars
ASCII Name[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3-)
DefinitionTrianion of [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.
Last Modified1 March 2011
DownloadsMolfile
FormulaC10H12N2O9P
Net Charge-3
Average Mass335.185
Monoisotopic Mass335.02969
SMILESO=C([O-])Cc1cn(C2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/p-3/t6-,8-,9-,10?/m1/s1
InChIKeyRDQUQBHPMYFYMX-XIWVQZPPSA-K
ChEBI Ontology
Outgoing Relation(s)
[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−) (CHEBI:57903) is a monocarboxylic acid anion (CHEBI:35757)
[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−) (CHEBI:57903) is a organophosphate oxoanion (CHEBI:58945)
[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−) (CHEBI:57903) is conjugate base of [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid (CHEBI:16805)
Incoming Relation(s)
[1-(5-phosphoribosyl)imidazol-4-yl]acetic acid (CHEBI:16805) is conjugate acid of [1-(5-phosphonatoribosyl)imidazol-4-yl]acetate(3−) (CHEBI:57903)
IUPAC Names 
4-(carboxylatomethyl)-1-(5-O-phosphonato-D-ribofuranosyl)-1H-imidazole
[1-(5-phosphonatoribofuranosyl)imidazol-4-yl]acetate
Synonym  Source
[1-(5-phosphonatoribosyl)imidazol-4-yl]acetate trianionChEBI
UniProt Name  Source
1-(5-phosphoribosyl)imidazole-4-acetateUniProt