Summary

IMPPAT Phytochemical identifier: IMPHY007213

Phytochemical name: Methyl stearate

Synonymous chemical names:
methyl ester of octadecanoic acid, methyl ester of stearic acid, methyl octadecanoate, methyl octadecanoate (= methyl stearate), methyl stearate, methyloctadecanoate, octadecanoic acid methyl ester, octadecanoic acid, methyl ester, stearic acid methyl ester

External chemical identifiers:
CID:8201, ChEBI:69188, ZINC:ZINC000067913216, FDASRS:8D4NXF3ZH7, SureChEMBL:SCHEMBL39262, MolPort-001-783-396

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC

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

InChIKey:
HPEUJPJOZXNMSJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OC

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: 0.229

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Chemical structure download