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

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

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ChEBI ID	CHEBI:185524
ChEBI Name	9,10-dichloro-octadecanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34Cl2O2
Net Charge	0
Average Mass	353.374
Monoisotopic Mass	352.19359
SMILES	CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)O
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

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

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

IUPAC Name
9,10-dichlorooctadecanoic acid

Manual Xrefs	Databases
106506	ChemSpider
LMFA01090059	LIPID MAPS

Registry Numbers	Sources
CAS:5829-48-1	ChemIDplus