Summary

IMPPAT Phytochemical identifier: IMPHY013785

Phytochemical name: Methyl nonadecanoate

Synonymous chemical names:
methyl nonacosanoate, methyl nonadecanoate, nonadecanoic acid methyl ester

External chemical identifiers:
CID:15610, ChEBI:87758, ZINC:ZINC000086046710, FDASRS:67FQ8VV2L3, SureChEMBL:SCHEMBL109331, MolPort-003-938-831

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(=O)OC

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

InChIKey:
BDXAHSJUDUZLDU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC=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: 0.219

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Chemical structure download