Summary

IMPPAT Phytochemical identifier: IMPHY010054

Phytochemical name: 9-Heptadecanone

Synonymous chemical names:
9-heptadecanone, 9-oxoheptadecane

External chemical identifiers:
CID:10887, ChEMBL:CHEMBL2398215, ZINC:ZINC000085831823, SureChEMBL:SCHEMBL342685, MolPort-002-486-461

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Chemical structure information

SMILES:
CCCCCCCCC(=O)CCCCCCCC

InChI:
InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey:
WTJKUFMLQFLJOT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)CCCCCCCC

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: 0.454

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Chemical structure download