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CHEBI:32357 - trans-3-coumaric acid

ChEBI IDCHEBI:32357
ChEBI Nametrans-3-coumaric acid
Stars
ASCII Nametrans-3-coumaric acid
DefinitionA 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.
Last Modified11 November 2016
DownloadsMolfile
FormulaC9H8O3
Net Charge0
Average Mass164.160
Monoisotopic Mass164.04734
SMILESO=C(O)/C=C/c1cccc(O)c1
InChIInChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChIKeyKKSDGJDHHZEWEP-SNAWJCMRSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
trans-3-coumaric acid (CHEBI:32357) is a 3-coumaric acid (CHEBI:47925)
trans-3-coumaric acid (CHEBI:32357) is conjugate acid of trans-3-coumarate (CHEBI:47928)
Incoming Relation(s)
methyl (2E)-3-(3-hydroxyphenyl)acrylate (CHEBI:131393) has functional parent trans-3-coumaric acid (CHEBI:32357)
trans-3-coumarate (CHEBI:47928) is conjugate base of trans-3-coumaric acid (CHEBI:32357)
IUPAC Name 
(2E)-3-(3-hydroxyphenyl)prop-2-enoic acid
Synonyms  Source
3-Coumaric acidKEGG COMPOUND
(2E)-3-(3-hydroxyphenyl)-2-propenoic acidNIST Chemistry WebBook
(E)-3-(3-hydroxyphenyl)-2-propenoic acidChemIDplus
(2E)-3-(3-hydroxyphenyl)acrylic acidChEBI
m-Hydroxycinnamic acidHMDB
trans-3-Hydroxycinnamic acidHMDB
Manual XrefsDatabases
C12621KEGG COMPOUND
HMDB0001713HMDB
M-coumaric_acidWikipedia
Registry NumbersSources
Gmelin:2245631Gmelin
Reaxys:2084229Reaxys
CAS:588-30-7KEGG COMPOUND
CAS:14755-02-3NIST Chemistry WebBook
CAS:14755-02-3ChemIDplus
Citations