Summary

IMPPAT Phytochemical identifier: IMPHY015669

Phytochemical name: Ethyl pentadecanoate

Synonymous chemical names:
ethyl pentadecanoate

External chemical identifiers:
CID:38762, ChEBI:172144, ZINC:ZINC000070454448, FDASRS:HJ2A096Y4T, SureChEMBL:SCHEMBL547039

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(=O)OCC

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

InChIKey:
PTEYJUIKYIKULL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=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: 0.128

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Chemical structure download