Summary

IMPPAT Phytochemical identifier: IMPHY017216

Phytochemical name: 2-Methylbutyrate

Synonymous chemical names:
α-methyl butyrate

External chemical identifiers:
CID:22253297, ChEBI:48946

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Chemical structure information

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

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

InChIKey:
WLAMNBDJUVNPJU-UHFFFAOYSA-M

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

Functional groups:
CC(=O)[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 acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 0.075

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Chemical structure download