Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006189

Phytochemical name: [(Z)-octadec-8-enyl] acetate

Synonymous chemical names:
z-8-octadecen-1-ol acetate

External chemical identifiers:
CID:CID_5363532, SureChEMBL:SCHEMBL4929136

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Chemical structure information

SMILES:
CCCCCCCCC/C=C\CCCCCCCOC(=O)C

InChI:
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h11-12H,3-10,13-19H2,1-2H3/b12-11-

InChIKey:
VVXFHXJUFYJYBT-QXMHVHEDSA-N

DeepSMILES:
CCCCCCCCC/C=C\CCCCCCCOC=O)C

Functional groups:
C/C=C\C, 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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.814

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Chemical structure download