Secondary metabolite:Isovaleric acid



EOCID001200
Summary

sCentInDB Chemical identifier: EOCID001200

Chemical name: Isovaleric acid

Molecular formula: C5H10O2

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

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

InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Fatty Acyls

Subclass: Fatty acids and conjugates


Synonymous chemical name(s):
butanoic acid, 3-methyl-, isovaleric acid


External chemical identifier(s):
CID:10430, CHEMBL568737, CHEBI:28484, CHEMSPIDER:10001, ZINC000000388188, FDASRS:1BR7X184L5, MOLPORT:000-871-620, SURECHEMBL:SCHEMBL43436


Spectrabase ID:
5glfD3OBiMq


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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