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CHEBI:187674 - Type IV cyanolipid 18:3 ester

ChEBI IDCHEBI:187674
ChEBI NameType IV cyanolipid 18:3 ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO2
Net Charge0
Average Mass357.538
Monoisotopic Mass357.26678
SMILESC=C(C)C(C#N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C23H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)26-22(20-24)21(2)3/h5-6,8-9,11-12,22H,2,4,7,10,13-19H2,1,3H3/b6-5-,9-8-,12-11-
InChIKeyZQGNQCAFNOTXSF-AGRJPVHOSA-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 IV cyanolipid 18:3 ester (CHEBI:187674) is a fatty acid ester (CHEBI:35748)
Type IV cyanolipid 18:3 ester (CHEBI:187674) is a nitrile (CHEBI:18379)
IUPAC Name 
(1-cyano-2-methylprop-2-enyl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
113368627ChemSpider
LMFA07030008LIPID MAPS