Summary

IMPPAT Phytochemical identifier: IMPHY008621

Phytochemical name: Tetracosyl tetracosanoate

Synonymous chemical names:
lignoceryl lignocerate

External chemical identifiers:
CID:3083668, FDASRS:OI4628R01I, SureChEMBL:SCHEMBL11041639

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C48H96O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-50-48(49)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3

InChIKey:
PHSOQCMUBQDNGP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCCCCCCC

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: 0.078

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Chemical structure download