CHEBI:83171 - (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid

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ChEBI Name (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid
ChEBI ID CHEBI:83171
ChEBI ASCII Name (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid
Definition An α,β-unsaturated monocarboxylic acid that is (2E,4Z)-7-methyl-2,4-octadienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H12O4
Net Charge 0
Average Mass 184.18920
Monoisotopic Mass 184.07356
InChI InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3-,8-5+
InChIKey OEUMAONYVQQDBW-HMRFFJRGSA-N
SMILES CC(C)C(=O)\C=C/C=C(/O)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 )
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ChEBI Ontology
Outgoing (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid (CHEBI:83171) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid (CHEBI:83171) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid (CHEBI:83171) is a 6-oxo monocarboxylic acid (CHEBI:35960)
(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid (CHEBI:83171) is conjugate acid of (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate (CHEBI:79380)
Incoming (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoate (CHEBI:79380) is conjugate base of (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid (CHEBI:83171)
IUPAC Name
(2E,4Z)-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid
Registry Numbers Types Sources
105688-62-8 CAS Registry Number ChemIDplus
6891113 Reaxys Registry Number Reaxys
Last Modified
29 September 2014