Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03NOU
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| Former ID |
DNC003404
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| Drug Name |
Alpha-ketoisovalerate
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| Synonyms |
3-Methyl-2-oxobutanoic acid; 759-05-7; 3-methyl-2-oxo-butanoic acid; alpha-Ketoisovalerate; alpha-Ketoisovaleric acid; 2-Ketoisovaleric acid; alpha-ketovaline; 2-oxoisovalerate; 3-Methyl-2-oxobutyric acid; Butanoic acid, 3-methyl-2-oxo-; 2-Oxoisovaleric acid; 2-ketovaline; 3-methyl-2-oxobutanoate; 2-keto-3-methylbutyric acid; 2-oxo-3-methylbutanoate; 2-oxoisopentanoate; alpha-oxoisovalerate; Dimethylpyruvic acid; a-ketoisovaleric acid; KETOVALINE; Isopropylglyoxylic acid; alpha-keto-isovaleric acid; 2-Oxo-3-methylbutanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C5H8O3
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| Canonical SMILES |
CC(C)C(=O)C(=O)O
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| InChI |
1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
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| InChIKey |
QHKABHOOEWYVLI-UHFFFAOYSA-N
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| CAS Number |
CAS 759-05-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3441, 821865, 6591379, 7888552, 8019853, 8144675, 8150431, 15315384, 24438430, 24701116, 46508074, 57319916, 77853222, 85164939, 92297929, 103432341, 103810903, 104293701, 117560058, 125309604, 125652402, 126522955, 126550726, 126676266, 129023330, 132555533, 134964969, 135021569, 135653416, 135716731, 137005515, 142296104, 144186841, 160649749, 160804197, 160870072, 160967136, 162296453, 163087197, 163371027, 163883481, 164801220, 172886049, 176329557, 179292948, 184823877, 198184081, 198968615, 201507627, 204399379
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| ChEBI ID |
CHEBI:16530
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Branched-chain-amino-acid transaminase 2 (BCAT2) | Target Info | Inhibitor | [1] |
| BioCyc | Leucine degradation | |||
| Valine degradation | ||||
| Isoleucine degradation | ||||
| KEGG Pathway | Valine, leucine and isoleucine degradation | |||
| Valine, leucine and isoleucine biosynthesis | ||||
| Pantothenate and CoA biosynthesis | ||||
| Metabolic pathways | ||||
| Biosynthesis of antibiotics | ||||
| 2-Oxocarboxylic acid metabolism | ||||
| Biosynthesis of amino acids | ||||
| Panther Pathway | Alanine biosynthesis | |||
| Isoleucine biosynthesis | ||||
| Leucine biosynthesis | ||||
| Valine biosynthesis | ||||
| WikiPathways | Metabolism of amino acids and derivatives | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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