CHEBI:179467 - 3-Methyl-2Z-hexenoic acid

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ChEBI Name 3-Methyl-2Z-hexenoic acid
ChEBI ID CHEBI:179467
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H12O2
Net Charge 0
Average Mass 128.171
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-
InChIKey NTWSIWWJPQHFTO-WAYWQWQTSA-N
SMILES OC(=O)/C=C(\CCC)/C
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 3-Methyl-2Z-hexenoic acid (CHEBI:179467) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(Z)-3-methylhex-2-enoic acid
Manual Xrefs Databases
24841859 ChemSpider
LMFA01030794 LIPID MAPS
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