CHEBI:58129 - cis-caffeate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-caffeate
ChEBI ID CHEBI:58129
ChEBI ASCII Name cis-caffeate
Definition The conjugate base of cis-caffeic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7O4
Net Charge -1
Average Mass 179.14950
Monoisotopic Mass 179.034
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2-
InChIKey QAIPRVGONGVQAS-RQOWECAXSA-M
SMILES Oc1ccc(\C=C/C([O-])=O)cc1O
ChEBI Ontology
Outgoing cis-caffeate (CHEBI:58129) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
cis-caffeate (CHEBI:58129) is conjugate base of cis-caffeic acid (CHEBI:17395)
Incoming cis-caffeic acid (CHEBI:17395) is conjugate acid of cis-caffeate (CHEBI:58129)
IUPAC Name
(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms Sources
(2Z)-3-(3,4-dihydroxyphenyl)acrylate IUPAC
cis-caffeate UniProt
cis-caffeate anion ChEBI
cis-caffeate(1−) ChEBI
Manual Xref Database
CPD-8098 MetaCyc
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Last Modified
05 November 2016