EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230563 - 3e,9z,12z,15z-octadecatetraenoic acid

Default Structure
ChEBI IDCHEBI:230563
ChEBI Name3e,9z,12z,15z-octadecatetraenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESCC/C=C\C/C=C\C/C=C\CCCC/C=C/CC(=O)O
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,16-15+
InChIKeyJNIPNHCEUZIVID-BPJKAVOUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
3e,9z,12z,15z-octadecatetraenoic acid (CHEBI:230563) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3E,9Z,12Z,15Z)-octadeca-3,9,12,15-tetraenoic acid
Manual XrefsDatabases
4445962ChemSpider
LMFA01030167LIPID MAPS