Summary

IMPPAT Phytochemical identifier: IMPHY007193

Phytochemical name: Ethyl stearate

Synonymous chemical names:
ethyl octadecanoate, ethyl stearate

External chemical identifiers:
CID:8122, ChEBI:84936, ZINC:ZINC000064858945, FDASRS:C64RTC734W, SureChEMBL:SCHEMBL24287, MolPort-001-783-297

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

InChIKey:
MVLVMROFTAUDAG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=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: 0.111

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Chemical structure download