3-oxo-heneicosanoic acid (CHEBI:187419)

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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	3-oxo-heneicosanoic acid

ChEBI ID	CHEBI:187419

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H40O3

Net Charge

Average Mass

340.548

Monoisotopic Mass

340.29775

InChI

InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24/h2-19H2,1H3,(H,23,24)

InChIKey

HIOTZLCGSPKFPF-UHFFFAOYSA-N

SMILES

O=C(CCCCCCCCCCCCCCCCCC)CC(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

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-oxo-heneicosanoic acid (CHEBI:187419) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

3-oxohenicosanoic acid