CHEBI:18844 - 1'-deoxyabscisic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1'-deoxyabscisic acid
ChEBI ID CHEBI:18844
Definition A monocarboxylic acid that is abscisic acid in which the tertiary hydroxy group is replaced by a hydrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H20O3
Net Charge 0
Average Mass 248.31750
Monoisotopic Mass 248.14124
InChI InChI=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-
InChIKey FCRACOPGPMPSHN-LXGGSRJLSA-N
SMILES CC(\C=C\C1C(C)=CC(=O)CC1(C)C)=C\C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1'-deoxyabscisic acid (CHEBI:18844) has functional parent 2-cis-abscisic acid (CHEBI:22152)
1'-deoxyabscisic acid (CHEBI:18844) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
1'-deoxyabscisic acid (CHEBI:18844) is a oxo monocarboxylic acid (CHEBI:35871)
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 acid ChEBI
Registry Number Type Source
2649145 Reaxys Registry Number Reaxys
Last Modified
27 June 2014