EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187543 - (E)-octadeca-15,17-dien-9,11,13-triynoic acid

ChEBI IDCHEBI:187543
ChEBI Name(E)-octadeca-15,17-dien-9,11,13-triynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O2
Net Charge0
Average Mass268.356
Monoisotopic Mass268.14633
SMILESC=C/C=C/C#CC#CC#CCCCCCCCC(=O)O
InChIInChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4H,1,11-17H2,(H,19,20)/b4-3+
InChIKeyAFPIFUWZTJSLOR-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-octadeca-15,17-dien-9,11,13-triynoic acid (CHEBI:187543) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(15E)-octadeca-15,17-dien-9,11,13-triynoic acid
Manual XrefsDatabases
113368252ChemSpider
LMFA01031146LIPID MAPS