Type III cyanolipid 16:0 ester (CHEBI:187592)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Type III cyanolipid 16:0 ester

ChEBI ID	CHEBI:187592

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H37NO2

Net Charge

Average Mass

335.532

Monoisotopic Mass

335.28243

InChI

InChI=1S/C21H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)24-19-20(2)17-18-22/h17H,3-16,19H2,1-2H3/b20-17+

InChIKey

HJZRCHUQQYFKIM-LVZFUZTISA-N

SMILES

O(C(=O)CCCCCCCCCCCCCCC)C/C(/C)=C/C#N

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Type III cyanolipid 16:0 ester (CHEBI:187592) is a fatty acid ester (CHEBI:35748) Type III cyanolipid 16:0 ester (CHEBI:187592) is a nitrile (CHEBI:18379)

IUPAC Name

[(E)-3-cyano-2-methylprop-2-enyl] hexadecanoate