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CHEBI:27683 - 2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

ChEBI IDCHEBI:27683
ChEBI Name2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a hydroxy group and a hydrogen at position 3 is substituted by a 4-hydroxyphenyl group.
Secondary ChEBI IDsCHEBI:1118, CHEBI:19599
Last Modified27 January 2016
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESO=C(O)/C(O)=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKeyGQYBCIHRWMPOOF-YVMONPNESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (CHEBI:27683) has functional parent acrylic acid (CHEBI:18308)
2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (CHEBI:27683) has role mouse metabolite (CHEBI:75771)
2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (CHEBI:27683) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (CHEBI:27683) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-3-(4-hydroxyphenyl)acrylic acid
Synonyms  Source
4,α-dihydroxycinnamic acidChEBI
2-hydroxy-3-(4-hydroxyphenyl)propenoic acidChEBI
Manual XrefsDatabases
C05350KEGG COMPOUND
Registry NumbersSources
Reaxys:2363632Reaxys