4-n-valeryl butyric acid (CHEBI:179513)

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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	4-n-valeryl butyric acid

ChEBI ID	CHEBI:179513

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O3

Net Charge

Average Mass

172.224

Monoisotopic Mass

172.10994

InChI

InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

IOLZRTYKQAFXFB-UHFFFAOYSA-N

SMILES

O=C(CCCC)CCCC(O)=O

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	4-n-valeryl butyric acid (CHEBI:179513) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

5-oxononanoic acid