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CHEBI:18844 - 1'-deoxyabscisic acid

ChEBI IDCHEBI:18844
ChEBI Name1'-deoxyabscisic acid
Stars
DefinitionA monocarboxylic acid that is abscisic acid in which the tertiary hydroxy group is replaced by a hydrogen.
Last Modified27 June 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)=C\C(=O)O
InChIInChI=1S/C15H20O3/c1-10(7-14(17)18)5-6-13-11(2)8-12(16)9-15(13,3)4/h5-8,13H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
InChIKeyFCRACOPGPMPSHN-LXGGSRJLSA-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)
1'-deoxyabscisic acid (CHEBI:18844) has functional parent 2-cis-abscisic acid (CHEBI:22152)
1'-deoxyabscisic acid (CHEBI:18844) is a oxo monocarboxylic acid (CHEBI:35871)
1'-deoxyabscisic acid (CHEBI:18844) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(2Z,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)penta-2,4-dienoic acid
Synonym  Source
(±)-1'-deoxyabscisic acidChEBI
Registry NumbersSources
Reaxys:2649145Reaxys