Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X7JA
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| Former ID |
DIB018818
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| Drug Name |
alpha-ketoisocaproate
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| Synonyms |
alpha-ketoisocaproic acid; 2-oxoisohexanoate; alpha-oxoisohexanoate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C6H10O3
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| Canonical SMILES |
CC(C)CC(=O)C(=O)O
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| InChI |
1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
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| InChIKey |
BKAJNAXTPSGJCU-UHFFFAOYSA-N
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| CAS Number |
CAS 816-66-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3532, 821864, 6233130, 7886712, 8150439, 15218977, 24438451, 24885723, 26704739, 46506016, 49658611, 57319932, 57652142, 77567634, 85165177, 87571960, 91701466, 92298012, 92714361, 93375437, 103140268, 103429890, 104225699, 104293764, 117560072, 118816651, 124953338, 124953339, 125539434, 126523490, 126629576, 126676306, 127526953, 134977374, 135653583, 137005014, 140300987, 143831571, 145468479, 160804963, 160870071, 160966373, 162145667, 162296967, 162758038, 163412062, 163426307, 164804157, 176329731, 178101372
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| ChEBI ID |
CHEBI:48430
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| References | Top | |||
|---|---|---|---|---|
| REF 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). | |||
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