Summary

IMPPAT Phytochemical identifier: IMPHY016278

Phytochemical name: 2-Methylvaleric acid

Synonymous chemical names:
2-methylpentanoic acid

External chemical identifiers:
CID:7341, ChEMBL:CHEMBL1204680, ChEBI:167644, FDASRS:26A19CG6J9, SureChEMBL:SCHEMBL148477, MolPort-001-791-362

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Chemical structure information

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

InChI:
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey:
OVBFMEVBMNZIBR-UHFFFAOYSA-N

DeepSMILES:
CCC=O)O))CCC

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: 0.762

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Chemical structure download