4-propionyl butyric acid (CHEBI:179404)

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	4-propionyl butyric acid

ChEBI ID	CHEBI:179404

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O3

Net Charge

Average Mass

144.170

Monoisotopic Mass

144.07864

InChI

InChI=1S/C7H12O3/c1-2-6(8)4-3-5-7(9)10/h2-5H2,1H3,(H,9,10)

InChIKey

PHADZMIQVBXNAW-UHFFFAOYSA-N

SMILES

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

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-propionyl butyric acid (CHEBI:179404) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

5-oxoheptanoic acid