Summary

IMPPAT Phytochemical identifier: IMPHY015825

Phytochemical name: Methyl 3-hydroxybutyrate

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

External chemical identifiers:
CID:15146, ChEBI:173462, FDASRS:S36O46U3EA, SureChEMBL:SCHEMBL53570, MolPort-006-113-331

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Chemical structure information

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

InChI:
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3

InChIKey:
LDLDJEAVRNAEBW-UHFFFAOYSA-N

DeepSMILES:
COC=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: 1.196

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Chemical structure download