9,10-dichloro-octadecanoic acid (CHEBI:185524)

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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	9,10-dichloro-octadecanoic acid

ChEBI ID	CHEBI:185524

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H34Cl2O2

Net Charge

Average Mass

353.370

Monoisotopic Mass

352.19359

InChI

InChI=1S/C18H34Cl2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)

InChIKey

IOVDLGFDMIRNLE-UHFFFAOYSA-N

SMILES

ClC(C(Cl)CCCCCCCC(O)=O)CCCCCCCC

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	9,10-dichloro-octadecanoic acid (CHEBI:185524) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

9,10-dichlorooctadecanoic acid

Registry Number	Type	Source
5829-48-1	CAS Registry Number	ChemIDplus