Summary

IMPPAT Phytochemical identifier: IMPHY015817

Phytochemical name: Methyl 2-hydroxy-3-methylbutanoate

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

External chemical identifiers:
CID:552631, SureChEMBL:SCHEMBL122885, MolPort-012-675-320

---

Chemical structure information

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

InChI:
InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3

InChIKey:
YSGBMDFJWFIEDF-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCC)C))O

Functional groups:
CO, COC(C)=O

---

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: 0.663

---

Chemical structure download