Summary

IMPPAT Phytochemical identifier: IMPHY011398

Phytochemical name: Cetyl palmitate

Synonymous chemical names:
hexadecyl palmitate, palmityl palmitate

External chemical identifiers:
CID:10889, ChEMBL:CHEMBL2106073, ChEBI:75584, ZINC:ZINC000008437455, FDASRS:5ZA2S6B08X, SureChEMBL:SCHEMBL44487, MolPort-003-931-579

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChIKey:
PXDJXZJSCPSGGI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCOC=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: 0.115

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Chemical structure download