Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01EVI
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| Former ID |
DNC003285
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| Drug Name |
Alpha-Methylisocitric Acid
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| Synonyms |
alpha-methylisocitric acid; methylisocitrate; 71183-66-9; (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid; Methylisocitric acid; (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate; AC1NUSCP; SCHEMBL1533821; CHEBI:15607; ZINC902108; LMFA01050444; AKOS030526883; DB04072; HY-16581; C04593; 3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid; UNII-8518EC1Z2E component HHKPKXCSHMJWCF-WVBDSBKLSA-N; UNII-ZC5YS92LCE component HHKPKXCSHMJWCF-WVBDSBKLSA-N
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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 |
C7H10O7
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| Canonical SMILES |
CC(C(CC(=O)O)C(=O)O)(C(=O)O)O
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| InChI |
1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
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| InChIKey |
HHKPKXCSHMJWCF-WVBDSBKLSA-N
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| CAS Number |
CAS 71183-66-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:15607
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| 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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