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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−)
ChEBI ID CHEBI:77657
ChEBI ASCII Name 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-)
Definition An organophosphate oxoanion that is the major structure at pH 7.3 of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C9H12N3O9P
Net Charge -2
Average Mass 337.18110
Monoisotopic Mass 337.031
InChI InChI=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
InChIKey XFVULMDJZXYMSG-ZIYNGMLESA-L
SMILES Nc1c([nH+]cn1[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−) (CHEBI:77657) is a organophosphate oxoanion (CHEBI:58945)
5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−) (CHEBI:77657) is conjugate base of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid (CHEBI:28413)
Incoming 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid (CHEBI:28413) is conjugate acid of 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2−) (CHEBI:77657)
IUPAC Name
5-amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate
Synonym Source
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate UniProt
Last Modified
17 April 2014