Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006727

Phytochemical name: Nonyl palmitate

Synonymous chemical names:
nonyl hexadecanoate, Nonyl hexadecanoate

External chemical identifiers:
CID:CID_10249353, ChEBI:CHEBI:84062, SureChEMBL:SCHEMBL333285

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC

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

InChIKey:
SDPZWRKQPQDSQW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCCCCCCCC

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: 0.145

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Chemical structure download