Summary

IMPPAT Phytochemical identifier: IMPHY009982

Phytochemical name: 7-Hexadecenoic acid, ethyl ester, (Z)-

Synonymous chemical names:
ethyl 7-hexadecenoate

External chemical identifiers:
CID:71343261

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Chemical structure information

SMILES:
CCCCCCCCC=CCCCCCC(=O)OCC

InChI:
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h11-12H,3-10,13-17H2,1-2H3

InChIKey:
DOUAMAQITOOBGB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=CCCCCCC=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: 0.644

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Chemical structure download