Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012628

Phytochemical name: 12-Tricosanone

Synonymous chemical names:
Tricosan-12-one, tricosan-12-one

External chemical identifiers:
CID:CID_10888, ZINC:ZINC000095863953, FDASRS:5O6EJV7J5M, SureChEMBL:SCHEMBL103222, MolPort-001-781-553

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)CCCCCCCCCCC

InChI:
InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey:
VARQGBHBYZTYLJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)CCCCCCCCCCC

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: 0.341

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Chemical structure download