Summary

IMPPAT Phytochemical identifier: IMPHY002953

Phytochemical name: Ethyl heptadecanoate

Synonymous chemical names:
ethyl heptadecanoate

External chemical identifiers:
CID:26397, ZINC:ZINC000070454038, SureChEMBL:SCHEMBL346642, MolPort-006-120-780

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3

InChIKey:
KNXMUFRWYNVISA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=O)OCC

Functional groups:
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: 0.116

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Chemical structure download