Summary

IMPPAT Phytochemical identifier: IMPHY017313

Phytochemical name: Methyl 2-hydroxybutanoate

Synonymous chemical names:
methyl 2-hydroxybutanoate

External chemical identifiers:
CID:520445, SureChEMBL:SCHEMBL820790, MolPort-003-908-522

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Chemical structure information

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

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

InChIKey:
DDMCDMDOHABRHD-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OC)))O

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.311

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Chemical structure download