Details of the Drug

General Information of Drug (ID: DMT7KBZ)

Drug Name
alpha-ketoisocaproate
Synonyms alpha-ketoisocaproic acid; 2-oxoisohexanoate; alpha-oxoisohexanoate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C6H10O3
Canonical SMILES
CC(C)CC(=O)C(=O)O
InChI
1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey
BKAJNAXTPSGJCU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
70
ChEBI ID
CHEBI:48430
CAS Number
816-66-0
TTD ID
D0X7JA

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4656).