Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00139
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| Drug Name |
Alpha-ketoglutaric acid
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| Synonyms |
2-Oxoglutarate; 2-ketoglutarate; 2-ketoglutaric acid; alpha-ketoglutarate; oxoglutarate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD11:N.A.] | Investigative | ||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C5H6O5
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| Canonical SMILES |
C(CC(=O)O)C(=O)C(=O)O
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| InChI |
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
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| InChIKey |
KPGXRSRHYNQIFN-UHFFFAOYSA-N
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| CAS Number |
CAS 328-50-7
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| Pharmaceutical Properties | Molecular Weight | 146.1 | Topological Polar Surface Area | 91.7 | ||
| Heavy Atom Count | 10 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
-0.9
|
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| PubChem CID | ||||||
| PubChem SID |
10319709
,10322722
,10518773
,11405806
,11459129
,11459622
,11532715
,14710598
,14710663
,14716068
,14716122
,15321557
,17389187
,17424980
,22390397
,24438432
,24698269
,24844201
,24844229
,24875185
,24896202
,24896211
,3133601
,3328
,4252672
,6312360
,7885202
,7885817
,8026183
,80706
,8138018
,8145356
,8150433
,820888
,820890
,820952
,821199
,821363
,821365
,826540
,827040
,828687
,828688
,828690
,836159
,837490
,837495
,837496
,837918
,841741
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| ChEBI ID |
CHEBI:30915
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | NaCT | Transporter Info | Sodium-coupled citrate transporter | Substrate | [1] | |
| NADC3 | Transporter Info | Sodium/dicarboxylate cotransporter 3 | Substrate | [2] | ||
| ODC | Transporter Info | Mitochondrial 2-oxodicarboxylate carrier | Substrate | [3] | ||
| OGC | Transporter Info | Mitochondrial 2-oxoglutarate/malate carrier | Substrate | [4] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | NADC3 | Transporter Info | Km =149 microM | HEK293T cells-NADC3 | [2] | |
| References | ||||||
| 1 | SLC13 family of Na+ coupled di- and tri-carboxylate/sulfate transporters. Mol Aspects Med. 2013 Apr-Jun;34(2-3):299-312. | |||||
| 2 | SLC13A3 variants cause acute reversible leukoencephalopathy and -ketoglutarate accumulation. Ann Neurol. 2019 Mar;85(3):385-395. | |||||
| 3 | Mitochondrial oxodicarboxylate carrier deficiency is associated with mitochondrial DNA depletion and spinal muscular atrophy-like disease. Genet Med. 2018 Oct;20(10):1224-1235. | |||||
| 4 | The mitochondrial dicarboxylate and 2-oxoglutarate carriers do not transport glutathione. FEBS Lett. 2015 Feb 27;589(5):621-8. | |||||
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