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CHEBI:58730 - 5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3−)

ChEBI IDCHEBI:58730
ChEBI Name5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3−)
Stars
ASCII Name5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)
DefinitionTrianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions.
Last Modified30 August 2017
DownloadsMolfile
FormulaC9H11N3O9P
Net Charge-3
Average Mass336.173
Monoisotopic Mass336.02494
SMILESO=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/p-3/t4-,6-,7-,8-/m1/s1
InChIKeyJHLXDWGVSYMXPL-XVFCMESISA-K
ChEBI Ontology
Outgoing Relation(s)
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3−) (CHEBI:58730) is a organophosphate oxoanion (CHEBI:58945)
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3−) (CHEBI:58730) is conjugate base of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole (CHEBI:48000)
Incoming Relation(s)
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole (CHEBI:48000) is conjugate acid of 5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3−) (CHEBI:58730)
IUPAC Name 
N-carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine
UniProt Name  Source
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazoleUniProt
Registry NumbersSources
Beilstein:11853632Beilstein