Summary

IMPPAT Phytochemical identifier: IMPHY008305

Phytochemical name: 2-Heptadecanone

Synonymous chemical names:
2-heptadecanone, heptadecan-2-one, heptadecanone

External chemical identifiers:
CID:18027, ChEMBL:CHEMBL3273575, ZINC:ZINC000077293245, FDASRS:01M5W012RI, SureChEMBL:SCHEMBL161232

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)C

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

InChIKey:
TVTCXPXLRKTHAU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.402

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Chemical structure download