Summary

IMPPAT Phytochemical identifier: IMPHY002604

Phytochemical name: Tetratriacontyl hexadecanoate

Synonymous chemical names:
tetratriacontanyl palmitate, tetratriacontyl hexadecanoate

External chemical identifiers:
CID:13908814, SureChEMBL:SCHEMBL1042062

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C50H100O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-16-14-12-10-8-6-4-2/h3-49H2,1-2H3

InChIKey:
RXRMVTCLUMJEEX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=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: 0.075

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Chemical structure download