Summary

IMPPAT Phytochemical identifier: IMPHY017906

Phytochemical name: 4-Tridecanone

Synonymous chemical names:
4-tridecanone

External chemical identifiers:
CID:98673, ChEMBL:CHEMBL1922860, ZINC:ZINC000001606024, SureChEMBL:SCHEMBL11782997

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)CCC

InChI:
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3

InChIKey:
JWSRUPAFLPWLNO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)CCC

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: 0.733

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Chemical structure download