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CHEBI:187590 - Type IV cyanolipid 16:0 ester

ChEBI IDCHEBI:187590
ChEBI NameType IV cyanolipid 16:0 ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H37NO2
Net Charge0
Average Mass335.532
Monoisotopic Mass335.28243
SMILESC=C(C)C(C#N)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C21H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)24-20(18-22)19(2)3/h20H,2,4-17H2,1,3H3
InChIKeyWNEKHZUGTPQVRV-UHFFFAOYSA-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 16:0 ester (CHEBI:187590) is a fatty acid ester (CHEBI:35748)
Type IV cyanolipid 16:0 ester (CHEBI:187590) is a nitrile (CHEBI:18379)
IUPAC Name 
(1-cyano-2-methylprop-2-enyl) hexadecanoate
Manual XrefsDatabases
113368621ChemSpider
LMFA07030002LIPID MAPS