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

ChEBI IDCHEBI:83171
ChEBI Name(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid
Stars
ASCII Name(2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid
DefinitionAn 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.
Last Modified29 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCC(C)C(=O)/C=C\C=C(\O)C(=O)O
InChIInChI=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+
InChIKeyOEUMAONYVQQDBW-HMRFFJRGSA-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)
(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 a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(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 Relation(s)
(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 NumbersSources
Reaxys:6891113Reaxys
CAS:105688-62-8ChemIDplus