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CHEBI:85162 - 9'-hydroxyabscisic acid

ChEBI IDCHEBI:85162
ChEBI Name9'-hydroxyabscisic acid
Stars
DefinitionAn oxo monocarboxylic acid that is (+)-abscisic acid substituted by a hydroxy group at position 9'.
Last Modified9 March 2015
Submitternamrata
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1=CC(=O)C[C@@](C)(CO)[C@@]1(O)/C=C/C(C)=C\C(=O)O
InChIInChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15+/m0/s1
InChIKeyAVFORCKFTWHFAR-QOMXHDIWSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
9'-hydroxyabscisic acid (CHEBI:85162) has functional parent (+)-abscisic acid (CHEBI:2365)
9'-hydroxyabscisic acid (CHEBI:85162) has role plant metabolite (CHEBI:76924)
9'-hydroxyabscisic acid (CHEBI:85162) is a oxo monocarboxylic acid (CHEBI:35871)
9'-hydroxyabscisic acid (CHEBI:85162) is a primary alcohol (CHEBI:15734)
9'-hydroxyabscisic acid (CHEBI:85162) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2Z,4E)-5-[(1R,6S)-1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Synonym  Source
9'-HOABAMetaCyc
Manual XrefsDatabases
CPD-7728MetaCyc