3-methyl-octanoic acid (CHEBI:179891)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-octanoic acid

ChEBI ID	CHEBI:179891

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H18O2

Net Charge

Average Mass

158.241

Monoisotopic Mass

158.13068

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-8(2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

InChIKey

YKSWLQPMYFCNBG-UHFFFAOYSA-N

SMILES

OC(=O)CC(CCCCC)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-octanoic acid (CHEBI:179891) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

3-methyloctanoic acid