Summary

IMPPAT Phytochemical identifier: IMPHY008118

Phytochemical name: Ethyl tridecanoate

Synonymous chemical names:
ethyl tridecanoate

External chemical identifiers:
CID:119908, ChEBI:172102, ZINC:ZINC000086002083, SureChEMBL:SCHEMBL1645398

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

InChIKey:
QJYYMNOTJXIOBP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC=O)OCC

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: 0.143

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Chemical structure download