Summary

IMPPAT Phytochemical identifier: IMPHY014465

Phytochemical name: 4-Nonenoic acid, nonacosyl ester

Synonymous chemical names:
nonacosyl non-4-enoate

External chemical identifiers:
CID:71338299

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC=CCCCC

InChI:
InChI=1S/C38H74O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-40-38(39)36-34-32-10-8-6-4-2/h10,32H,3-9,11-31,33-37H2,1-2H3

InChIKey:
WRBFDQBCGUWURS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCC=CCCCC

Functional groups:
CC=CC, 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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.441

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Chemical structure download