Summary

IMPPAT Phytochemical identifier: IMPHY016832

Phytochemical name: Propyl palmitate

Synonymous chemical names:
propyl hexadecanoate

External chemical identifiers:
CID:75232, ZINC:ZINC000100122954, SureChEMBL:SCHEMBL424533

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCCC

InChI:
InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3

InChIKey:
BEKZXQKGTDVSKX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCC

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: 0.108

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Chemical structure download