Summary

IMPPAT Phytochemical identifier: IMPHY006111

Phytochemical name: 2-Heptacosanone

Synonymous chemical names:
heptacosanone

External chemical identifiers:
CID:547857, SureChEMBL:SCHEMBL14688495

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C

InChI:
InChI=1S/C27H54O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28/h3-26H2,1-2H3

InChIKey:
MJEFMWGOVVCQIK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=O)C

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: 0.258

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Chemical structure download