3-Methyl-3-butenyl hexadecanoate (CHEBI:184168)

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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	3-Methyl-3-butenyl hexadecanoate

ChEBI ID	CHEBI:184168

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H40O2

Net Charge

Average Mass

324.549

Monoisotopic Mass

324.30283

InChI

InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h2,4-19H2,1,3H3

InChIKey

ZYMJMSWGXGHNKM-UHFFFAOYSA-N

SMILES

O(C(=O)CCCCCCCCCCCCCCC)CCC(C)=C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in serum (BTO:0001239). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-Methyl-3-butenyl hexadecanoate (CHEBI:184168) is a fatty acid ester (CHEBI:35748)

IUPAC Name

3-methylbut-3-enyl hexadecanoate