EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230564 - 16-bromo-hexadecanoic acid

Default Structure
ChEBI IDCHEBI:230564
ChEBI Name16-bromo-hexadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31BrO2
Net Charge0
Average Mass335.326
Monoisotopic Mass334.15074
SMILESO=C(O)CCCCCCCCCCCCCCCBr
InChIInChI=1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
InChIKeyPFNCOYVEMJYEED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
16-bromo-hexadecanoic acid (CHEBI:230564) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
16-bromohexadecanoic acid
Manual XrefsDatabases
539129ChemSpider
LMFA01090010LIPID MAPS