Summary

IMPPAT Phytochemical identifier: IMPHY006971

Phytochemical name: Methyl palmitate

Synonymous chemical names:
hexadecanoic acid, methyl ester, hexadecanoic acid, methyl ester or methyl palmitate, hexadecanoic acid,methyl ester, methyl hexadecanoate, methyl hexadecanoate (= methyl palmitate), methyl hexadecanoate (=methyl palmitate), methyl hexadecanoate,, methyl palmitate, methylhexadecanoate, methylpalmitate, palmitic acid methyl ester

External chemical identifiers:
CID:8181, ChEMBL:CHEMBL335125, ChEBI:69187, ZINC:ZINC000043871947, FDASRS:DPY8VCM98I, SureChEMBL:SCHEMBL37365, MolPort-001-780-242

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3

InChIKey:
FLIACVVOZYBSBS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.253

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Chemical structure download