Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013799

Phytochemical name: Z,Z-3,15-Octadecadien-1-ol acetate

Synonymous chemical names:
z,z-3,15-octadecadien-1-olacetate

External chemical identifiers:
CID:CID_5363218

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Chemical structure information

SMILES:
CC/C=C\CCCCCCCCCC/C=C\CCOC(=O)C

InChI:
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h4-5,16-17H,3,6-15,18-19H2,1-2H3/b5-4-,17-16-

InChIKey:
HSNSJXNXPMWZDT-YAJCTXPQSA-N

DeepSMILES:
CC/C=C\CCCCCCCCCC/C=C\CCOC=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: 1.067

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Chemical structure download