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CHEBI:39157 - trichostatic acid

ChEBI IDCHEBI:39157
ChEBI Nametrichostatic acid
Stars
Last Modified27 June 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCC(/C=C/C(=O)O)=C\C(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+
InChIKeyVKEITMNFEJHFCX-WKWSCTOISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
trichostatic acid (CHEBI:39157) is a 7-oxo monocarboxylic acid (CHEBI:35983)
trichostatic acid (CHEBI:39157) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
(R)-trichostatic acid (CHEBI:39158) is a trichostatic acid (CHEBI:39157)
(S)-trichostatic acid (CHEBI:39159) is a trichostatic acid (CHEBI:39157)
IUPAC Name 
(2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
Synonyms  Source
trichostatic acidChemIDplus
(±)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acidChemIDplus
Registry NumbersSources
Beilstein:2386556Beilstein
CAS:114127-17-2ChemIDplus