Summary

IMPPAT Phytochemical identifier: IMPHY009310

Phytochemical name: 7-Pentacosanone

Synonymous chemical names:
pentacosan-7-one

External chemical identifiers:
CID:54551687, ChEBI:172598, ZINC:ZINC000086040210, SureChEMBL:SCHEMBL21044726

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(=O)CCCCCC

InChI:
InChI=1S/C25H50O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h3-24H2,1-2H3

InChIKey:
ZKISAEBFBKQQID-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC=O)CCCCCC

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: 0.314

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Chemical structure download