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CHEBI:230599 - 12-bromo-octadecanoic acid

Default Structure
ChEBI IDCHEBI:230599
ChEBI Name12-bromo-octadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H35BrO2
Net Charge0
Average Mass363.380
Monoisotopic Mass362.18204
SMILESCCCCCCC(Br)CCCCCCCCCCC(=O)O
InChIInChI=1S/C18H35BrO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKeyOOXDKNSCVLIEIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
12-bromo-octadecanoic acid (CHEBI:230599) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
12-bromooctadecanoic acid
Manual XrefsDatabases
4472372ChemSpider
LMFA01090013LIPID MAPS