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CHEBI:57770 - trans-caffeate

ChEBI IDCHEBI:57770
ChEBI Nametrans-caffeate
Stars
ASCII Nametrans-caffeate
DefinitionThe conjugate base of trans-caffeic acid; major species at pH 7.3.
Last Modified9 August 2019
DownloadsMolfile
FormulaC9H7O4
Net Charge-1
Average Mass179.151
Monoisotopic Mass179.03498
SMILESO=C([O-])/C=C/c1ccc(O)c(O)c1
InChIInChI=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+
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
trans-caffeoyl-AMP(1−) (CHEBI:192349) has functional parent trans-caffeate (CHEBI:57770)
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  Source
(2E)-3-(3,4-dihydroxyphenyl)acrylateChEBI
3,4-dihydroxy-trans-cinnamateChEBI
trans-caffeate(1−)ChEBI
trans-caffeate anionChEBI
UniProt Name  Source
(E)-caffeateUniProt
Registry NumbersSources
Gmelin:1824843Gmelin
Beilstein:8986917Beilstein