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CHEBI:187826 - Type III cyanolipid 20:2 ester

ChEBI IDCHEBI:187826
ChEBI NameType III cyanolipid 20:2 ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41NO2
Net Charge0
Average Mass387.608
Monoisotopic Mass387.31373
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC/C(C)=C/C#N
InChIInChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-23-24(2)21-22-26/h7-8,10-11,21H,3-6,9,12-20,23H2,1-2H3/b8-7-,11-10-,24-21+
InChIKeyRSKWBJJOKVKMEP-XKRIMYPJSA-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 20:2 ester (CHEBI:187826) is a fatty acid ester (CHEBI:35748)
Type III cyanolipid 20:2 ester (CHEBI:187826) is a nitrile (CHEBI:18379)
IUPAC Name 
[(E)-3-cyano-2-methylprop-2-enyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
113368640ChemSpider
LMFA07030022LIPID MAPS