Summary

IMPPAT Phytochemical identifier: IMPHY015340

Phytochemical name: 3-Hydroxy-2-pentanone

Synonymous chemical names:
3-hydroxypentan-2-one

External chemical identifiers:
CID:62484, ChEBI:173350, FDASRS:BQA0W5LG7K, SureChEMBL:SCHEMBL107741

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Chemical structure information

SMILES:
CCC(C(=O)C)O

InChI:
InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3

InChIKey:
HDKKRASBPHFULQ-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)C))O

Functional groups:
CC(C)=O, CO

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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: 1.266

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Chemical structure download