Summary

IMPPAT Phytochemical identifier: IMPHY011861

Phytochemical name: 15-Nonacosanone

Synonymous chemical names:
15-nonacosanone, nonacosan-15-one

External chemical identifiers:
CID:75997, ZINC:ZINC000062239635, SureChEMBL:SCHEMBL7617211

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC

InChI:
InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChIKey:
FVKQALGTGOKSSK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCC

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.273

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Chemical structure download