3-bromohexadecanoic acid (CHEBI:190119)

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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-bromohexadecanoic acid

ChEBI ID	CHEBI:190119

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H31BrO2

Net Charge

Average Mass

335.326

Monoisotopic Mass

334.15074

InChI

InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15H,2-14H2,1H3,(H,18,19)

InChIKey

RGAZRPDRVKDCPI-UHFFFAOYSA-N

SMILES

BrC(CCCCCCCCCCCCC)CC(O)=O

Metabolite of Species	Details
Brassica napus (NCBI:txid3708)	Found in flower (BTO:0000469). 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-bromohexadecanoic acid (CHEBI:190119) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

3-bromohexadecanoic acid