Summary

IMPPAT Phytochemical identifier: IMPHY017469

Phytochemical name: 4-Hexadecanone

Synonymous chemical names:
4-hexadecanone

External chemical identifiers:
CID:551475, ChEMBL:CHEMBL3273570, SureChEMBL:SCHEMBL3121664

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(=O)CCC

InChI:
InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h3-15H2,1-2H3

InChIKey:
JWIKKFZLSSZWRK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC=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: 0.604

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Chemical structure download