Summary

IMPPAT Phytochemical identifier: IMPHY014911

Phytochemical name: Ethyl octadec-9-enoate

Synonymous chemical names:
ethyl octadec-9-enoate

External chemical identifiers:
CID:8123, SureChEMBL:SCHEMBL2798

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Chemical structure information

SMILES:
CCCCCCCCC=CCCCCCCCC(=O)OCC

InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3

InChIKey:
LVGKNOAMLMIIKO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=CCCCCCCCC=O)OCC

Functional groups:
CC=CC, COC(C)=O

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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: 0.586

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Chemical structure download