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CHEBI:52046 - 7-methyl-3-oxooct-6-enoic acid

ChEBI IDCHEBI:52046
ChEBI Name7-methyl-3-oxooct-6-enoic acid
Stars
DefinitionA monounsaturated oxo fatty acid comprising 3-oxooct-6-enoic acid having a methyl substituent at the 7-position.
Last Modified1 February 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESCC(C)=CCCC(=O)CC(=O)O
InChIInChI=1S/C9H14O3/c1-7(2)4-3-5-8(10)6-9(11)12/h4H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyLWAVSMHUXDEREV-UHFFFAOYSA-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)
7-methyl-3-oxooct-6-enoic acid (CHEBI:52046) is a 3-oxo monocarboxylic acid (CHEBI:47881)
7-methyl-3-oxooct-6-enoic acid (CHEBI:52046) is a branched-chain fatty acid (CHEBI:35819)
7-methyl-3-oxooct-6-enoic acid (CHEBI:52046) is a medium-chain fatty acid (CHEBI:59554)
7-methyl-3-oxooct-6-enoic acid (CHEBI:52046) is a monounsaturated fatty acid (CHEBI:25413)
7-methyl-3-oxooct-6-enoic acid (CHEBI:52046) is a oxo fatty acid (CHEBI:59644)
IUPAC Name 
7-methyl-3-oxooct-6-enoic acid
Synonyms  Source
7-methyl-3-oxo-6-octenoic acidChEBI
7-Methyl-3-oxo-oct-6-ensäureChEBI
7-Methyl-3-oxooct-6-ensäureChEBI
Registry NumbersSources
Reaxys:1768618Reaxys