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CHEBI:57701 - 5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate

ChEBI IDCHEBI:57701
ChEBI Name5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate
Stars
ASCII Name5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate
DefinitionThe conjugate base of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid. It is an intermediate in the shikimate pathway.
Last Modified21 January 2016
DownloadsMolfile
FormulaC10H9O10P
Net Charge-4
Average Mass320.146
Monoisotopic Mass319.99553
SMILESC=C(O[C@@H]1CC(C(=O)[O-])=C[C@@H](OP(=O)([O-])[O-])[C@H]1O)C(=O)[O-]
InChIInChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/p-4/t6-,7-,8+/m1/s1
InChIKeyQUTYKIXIUDQOLK-PRJMDXOYSA-J
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate (CHEBI:57701) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate (CHEBI:57701) is a organophosphate oxoanion (CHEBI:58945)
5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate (CHEBI:57701) is conjugate base of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid (CHEBI:16257)
Incoming Relation(s)
5-O-(1-carboxyvinyl)-3-phosphoshikimic acid (CHEBI:16257) is conjugate acid of 5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate (CHEBI:57701)
IUPAC Name 
(3R,4S,5R)-5-[(1-carboxylatoethenyl)oxy]-4-hydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate
Synonyms  Source
5-enolpyruvyl shikimate-3-phosphateChEBI
EPSP(4−)ChEBI
UniProt Name  Source
5-O-(1-carboxyvinyl)-3-phosphoshikimateUniProt
Citations