Summary

IMPPAT Phytochemical identifier: IMPHY003236

Phytochemical name: Isovalerate

Synonymous chemical names:
3-methylbutanoate

External chemical identifiers:
CID:3587356, ChEBI:48942

---

Chemical structure information

SMILES:
CC(CC(=O)[O-])C

InChI:
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1

InChIKey:
GWYFCOCPABKNJV-UHFFFAOYSA-M

DeepSMILES:
CCCC=O)[O-])))C

Functional groups:
CC(=O)[O-]

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: -0.029

---

Chemical structure download