6-bromo-heneicosa-5E,9Z-dienoic acid (CHEBI:187832)

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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	6-bromo-heneicosa-5E,9Z-dienoic acid

ChEBI ID	CHEBI:187832

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H37BrO2

Net Charge

Average Mass

401.429

Monoisotopic Mass

400.19769

InChI

InChI=1S/C21H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)18-15-16-19-21(23)24/h12-13,18H,2-11,14-17,19H2,1H3,(H,23,24)/b13-12-,20-18+

InChIKey

CHDNELKYCOHVFT-QXZHCCGNSA-N

SMILES

Br/C(/CC/C=C\CCCCCCCCCCC)=C/CCCC(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	6-bromo-heneicosa-5E,9Z-dienoic acid (CHEBI:187832) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(5E,9Z)-6-bromohenicosa-5,9-dienoic acid