5-Methyl-2E-tridecenoic acid (CHEBI:165368)

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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	5-Methyl-2E-tridecenoic acid

ChEBI ID	CHEBI:165368

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H26O2

Net Charge

Average Mass

226.360

Monoisotopic Mass

226.19328

InChI

InChI=1S/C14H26O2/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(15)16/h9,12-13H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+

InChIKey

HRQKXMSCZPCUSK-FMIVXFBMSA-N

SMILES

OC(=O)\C=C\CC(CCCCCCCC)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	5-Methyl-2E-tridecenoic acid (CHEBI:165368) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E)-5-methyltridec-2-enoic acid