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CHEBI:58443 - SAICAR(4−)

ChEBI IDCHEBI:58443
ChEBI NameSAICAR(4−)
Stars
ASCII NameSAICAR(4-)
DefinitionAn organophosphate oxoanion that is the tetraanionic form of SAICAR. It is the major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC13H15N4O12P
Net Charge-4
Average Mass450.253
Monoisotopic Mass450.04460
SMILES[H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(n2cnc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c2N)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/p-4/t4-,5+,8+,9+,12+/m0/s1
InChIKeyNAQGHJTUZRHGAC-ZZZDFHIKSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
SAICAR(4−) (CHEBI:58443) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
SAICAR(4−) (CHEBI:58443) has role human metabolite (CHEBI:77746)
SAICAR(4−) (CHEBI:58443) is a dicarboxylic acid dianion (CHEBI:28965)
SAICAR(4−) (CHEBI:58443) is a organophosphate oxoanion (CHEBI:58945)
SAICAR(4−) (CHEBI:58443) is conjugate base of SAICAR (CHEBI:18319)
Incoming Relation(s)
SAICAR (CHEBI:18319) is conjugate acid of SAICAR(4−) (CHEBI:58443)
IUPAC Names 
(2S)-2-[5-amino-1-(5-O-phosphonato-β-D-ribosyl)imidazole-4-carboxamido]succinate
5-amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide
UniProt Name  Source
(2S)-2-[5-amino-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamido]succinateUniProt
Manual XrefsDatabases
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLEMetaCyc
Citations