Summary

IMPPAT Phytochemical identifier: IMPHY010545

Phytochemical name: Tetracosanyl stearate

Synonymous chemical names:
tetracosanyl octadecanoate, tetracosanyl-octadecanoate

External chemical identifiers:
CID:13908816, FDASRS:45V5997828, SureChEMBL:SCHEMBL8466836

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3

InChIKey:
JKKQRJTZBKHHOI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCC

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: 0.089

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Chemical structure download