CHEBI:57770 - trans-caffeate

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ChEBI Name trans-caffeate
ChEBI ID CHEBI:57770
ChEBI ASCII Name trans-caffeate
Definition The conjugate base of trans-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-DUXPYHPUSA-M
SMILES Oc1ccc(\C=C\C([O-])=O)cc1O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-caffeate (CHEBI:57770) has role human metabolite (CHEBI:77746)
trans-caffeate (CHEBI:57770) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
trans-caffeate (CHEBI:57770) is conjugate base of trans-caffeic acid (CHEBI:16433)
Incoming 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) has functional parent trans-caffeate (CHEBI:57770)
trans-caffeic acid (CHEBI:16433) is conjugate acid of trans-caffeate (CHEBI:57770)
IUPAC Name
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Synonyms Sources
(2E)-3-(3,4-dihydroxyphenyl)acrylate ChEBI
3,4-dihydroxy-trans-cinnamate ChEBI
trans-caffeate UniProt
trans-caffeate anion ChEBI
trans-caffeate(1−) ChEBI
Registry Numbers Types Sources
1824843 Gmelin Registry Number Gmelin
8986917 Beilstein Registry Number Beilstein
Last Modified
03 October 2018