4-heptanoyl butyric acid (CHEBI:180331)

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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-heptanoyl butyric acid

ChEBI ID	CHEBI:180331

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H20O3

Net Charge

Average Mass

200.278

Monoisotopic Mass

200.14124

InChI

InChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h2-9H2,1H3,(H,13,14)

InChIKey

LXPXOCHGDNNXCA-UHFFFAOYSA-N

SMILES

O=C(CCCCCC)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-heptanoyl butyric acid (CHEBI:180331) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

5-oxoundecanoic acid