EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187808 - Type III cyanolipid 18:3 ester

ChEBI IDCHEBI:187808
ChEBI NameType III cyanolipid 18:3 ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO2
Net Charge0
Average Mass357.538
Monoisotopic Mass357.26678
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC/C(C)=C/C#N
InChIInChI=1S/C23H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)26-21-22(2)19-20-24/h4-5,7-8,10-11,19H,3,6,9,12-18,21H2,1-2H3/b5-4-,8-7-,11-10-,22-19+
InChIKeyZDNHCXMAEKVLGG-MPFYFTGJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Type III cyanolipid 18:3 ester (CHEBI:187808) is a fatty acid ester (CHEBI:35748)
Type III cyanolipid 18:3 ester (CHEBI:187808) is a nitrile (CHEBI:18379)
IUPAC Name 
[(E)-3-cyano-2-methylprop-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
113368636ChemSpider
LMFA07030018LIPID MAPS