Summary

IMPPAT Phytochemical identifier: IMPHY010115

Phytochemical name: Hexadecyl docosanoate

Synonymous chemical names:
ceryl behenate

External chemical identifiers:
CID:162506, ZINC:ZINC000062238970, FDASRS:WFM51TRO3E, SureChEMBL:SCHEMBL148982

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3

InChIKey:
UEDYHQHDUXDFGA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCCC

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: 0.098

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Chemical structure download