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CHEBI:187717 - Type IV cyanolipid 20:2 ester

ChEBI IDCHEBI:187717
ChEBI NameType IV cyanolipid 20:2 ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H41NO2
Net Charge0
Average Mass387.608
Monoisotopic Mass387.31373
SMILESC=C(C)C(C#N)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C25H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)28-24(22-26)23(2)3/h8-9,11-12,24H,2,4-7,10,13-21H2,1,3H3/b9-8-,12-11-
InChIKeyAJPBIUFGQARABL-MURFETPASA-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 20:2 ester (CHEBI:187717) is a fatty acid ester (CHEBI:35748)
Type IV cyanolipid 20:2 ester (CHEBI:187717) is a nitrile (CHEBI:18379)
IUPAC Name 
(1-cyano-2-methylprop-2-enyl) (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
113368630ChemSpider
LMFA07030011LIPID MAPS