Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005184

Phytochemical name: Methyl pentadecanoate

Synonymous chemical names:
Methyl Pentadecanoate, methyl ester of pentadecanoic acid, Methyl pentadecanoate, pentadecanoic acid methyl ester, methyl pentadecanoate

External chemical identifiers:
CID:CID_23518, ChEMBL:CHEMBL1900809, ChEBI:CHEBI:142657, ZINC:ZINC000038141470, FDASRS:8K0ZV6FAIZ, SureChEMBL:SCHEMBL246530, MolPort-003-938-987

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3

InChIKey:
XIUXKAZJZFLLDQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=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: 0.268

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Chemical structure download