Summary

IMPPAT Phytochemical identifier: IMPHY001494

Phytochemical name: Methyl heptadecanoate

Synonymous chemical names:
methyl ester of heptadecanoic acid, methyl heptadecanoate

External chemical identifiers:
CID:15609, ChEBI:136920, ZINC:ZINC000062238196, FDASRS:41PZK7H0KL, SureChEMBL:SCHEMBL346760, MolPort-003-929-228

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3

InChIKey:
HUEBIMLTDXKIPR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=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: 0.241

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Chemical structure download