Summary

IMPPAT Phytochemical identifier: IMPHY012238

Phytochemical name: Methyl tetracosanoate

Synonymous chemical names:
methyl lignocerate, methyl tetracosanoate, methyl-tetracosanoate

External chemical identifiers:
CID:75546, ChEBI:143590, ZINC:ZINC000070455481, FDASRS:HY5564B8FX, SureChEMBL:SCHEMBL863540, MolPort-003-939-502

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3

InChIKey:
XUDJZDNUVZHSKZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=O)OC

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 Acids and Conjugates

NP-Likeness score: 0.178

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Chemical structure download