Summary

IMPPAT Phytochemical identifier: IMPHY015818

Phytochemical name: Methyl 2-hydroxy-3-methylpentanoate

Synonymous chemical names:
methyl 2-hydroxy-3-methylpentanoate

External chemical identifiers:
CID:521064, SureChEMBL:SCHEMBL9458330, MolPort-012-675-321

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Chemical structure information

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

InChI:
InChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3

InChIKey:
OQXGUAUSWWFHOM-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)OC)))O))C

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 esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.118

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Chemical structure download