Summary

IMPPAT Phytochemical identifier: IMPHY013826

Phytochemical name: Lanolin

Synonymous chemical names:
octadecyl palmitate

External chemical identifiers:
CID:75778, ChEBI:84066, ZINC:ZINC000060050365, FDASRS:214W90O2XZ, SureChEMBL:SCHEMBL33919

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChIKey:
BILPUZXRUDPOOF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCC

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