Summary

IMPPAT Phytochemical identifier: IMPHY007045

Phytochemical name: 2-Methylbutanoic acid

Synonymous chemical names:
2-methyl butanoic acid, 2-methyl-butanoic-acid, 2-methyl-butyric-acid, 2-methylbutanoic acid, 2-methylbutyrate, 2-methylbutyric acid, 2-methylbutyricacid, methylethyl acetic acid, methylethylacetic acid

External chemical identifiers:
CID:8314, ChEMBL:CHEMBL1160012, ChEBI:37070, FDASRS:PX7ZNN5GXK, SureChEMBL:SCHEMBL49960, MolPort-001-779-742

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Chemical structure information

SMILES:
CC(C(=O)O)CC

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

InChIKey:
WLAMNBDJUVNPJU-UHFFFAOYSA-N

DeepSMILES:
CCC=O)O))CC

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 Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 1.055

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Chemical structure download