Summary

IMPPAT Phytochemical identifier: IMPHY007967

Phytochemical name: Ethyl 3-hydroxybutyrate

Synonymous chemical names:
ethyl 3-hydroxybutanoate, ethyl 3-hydroxybutyrate

External chemical identifiers:
CID:62572, ChEBI:87685, FDASRS:52008C87PV, SureChEMBL:SCHEMBL76382, MolPort-001-759-241

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Chemical structure information

SMILES:
CCOC(=O)CC(O)C

InChI:
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3

InChIKey:
OMSUIQOIVADKIM-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCO)C

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.829

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Chemical structure download