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CHEBI:62431 - abscisic acids

ChEBI IDCHEBI:62431
ChEBI Nameabscisic acids
Stars
DefinitionAny apo carotenoid sesquiterpenoid that is 3-methylpenta-2,4-dienoic acid substituted at position 5 by a 1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl group and in which the acyclic double bond between positions 4 and 5 has E-configuration.
Last Modified12 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H]C(C(=O)O)=C(C)/C=C/C1(O)C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7?
InChIKeyJLIDBLDQVAYHNE-FEGZXCSJSA-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)
abscisic acids (CHEBI:62431) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
abscisic acids (CHEBI:62431) is a tertiary allylic alcohol (CHEBI:134397)
abscisic acids (CHEBI:62431) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
abscisic acids (CHEBI:62431) is conjugate acid of abscisates (CHEBI:62432)
Incoming Relation(s)
2-cis-abscisic acid (CHEBI:22152) is a abscisic acids (CHEBI:62431)
2-trans-abscisic acid (CHEBI:62426) is a abscisic acids (CHEBI:62431)
abscisates (CHEBI:62432) is conjugate base of abscisic acids (CHEBI:62431)
IUPAC Name 
(4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Synonym  Source
abscisic acidChEBI