Summary

IMPPAT Phytochemical identifier: IMPHY008896

Phytochemical name: Icosanoic acid hexacosyl ester

Synonymous chemical names:
n-hexacosanylarachidate

External chemical identifiers:
CID:13908822, ZINC:ZINC000062239094, SureChEMBL:SCHEMBL21044685

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C46H92O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-45-48-46(47)44-42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h3-45H2,1-2H3

InChIKey:
OHKNJNVJDAVZRL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCC

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: 0.081

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Chemical structure download