Summary

IMPPAT Phytochemical identifier: IMPHY017790

Phytochemical name: Ethyl eicosenoate

Synonymous chemical names:
ethyl eicosenoate

External chemical identifiers:
CID:86016410

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC=CC(=O)OCC

InChI:
InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h20-21H,3-19H2,1-2H3

InChIKey:
AETKGVDWJHDQQU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=CC=O)OCC

Functional groups:
CC=CC(=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: 0.581

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Chemical structure download