Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02UII
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| Former ID |
DNC003284
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| Drug Name |
4-Hydroxy-Aconitate Ion
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| Synonyms |
4-hydroxy-aconitate ion; ATH; AC1NRA5R; DB03964; (E,3R)-3-hydroxyprop-1-ene-1,2,3-tricarboxylate
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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 |
C6H3O7-3
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| Canonical SMILES |
C(=C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-]
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| InChI |
1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1
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| InChIKey |
WUUVSJBKHXDKBS-ROFOPDMZSA-K
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Citrate hydro-lyase (ACO2) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of conversion of glucose to acetyl CoA and entry into the TCA cycle | |||
| TCA cycle | ||||
| KEGG Pathway | Citrate cycle (TCA cycle) | |||
| Glyoxylate and dicarboxylate metabolism | ||||
| Metabolic pathways | ||||
| Biosynthesis of antibiotics | ||||
| Carbon metabolism | ||||
| 2-Oxocarboxylic acid metabolism | ||||
| Biosynthesis of amino acids | ||||
| NetPath Pathway | TSH Signaling Pathway | |||
| Panther Pathway | TCA cycle | |||
| Pathwhiz Pathway | Citric Acid Cycle | |||
| Warburg Effect | ||||
| Reactome | Mitochondrial protein import | |||
| WikiPathways | TCA Cycle | |||
| The citric acid (TCA) cycle and respiratory electron transport | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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