Summary

IMPPAT Phytochemical identifier: IMPHY016927

Phytochemical name: Methyl eicosenoate

Synonymous chemical names:
methyl eicosenoate

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC/C=C/C(=O)OC

InChI:
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h19-20H,3-18H2,1-2H3/b20-19+

InChIKey:
SYHMKLURAMOAEN-FMQUCBEESA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC/C=C/C=O)OC

Functional groups:
C/C=C/C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.753

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Chemical structure download