Summary

IMPPAT Phytochemical identifier: IMPHY015733

Phytochemical name: Hexyl palmitate

Synonymous chemical names:
hexyl hexadecanoate

External chemical identifiers:
CID:162505, SureChEMBL:SCHEMBL81331

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCCCCCC

InChI:
InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3

InChIKey:
IOVYZELOJXWQKD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCCCCC

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: 0.163

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Chemical structure download