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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

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

Download	Molfile XML SDF

Formula

C7H12O2

Net Charge

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 )

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