Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0SK8U
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| Former ID |
DNC003157
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| Drug Name |
Dephospho Coenzyme A
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| Synonyms |
3'-dephospho-CoA; 3-dephospho-CoA; 3633-59-8; 3'-dephospho-CoA(2-); CHEBI:57328; adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
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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 |
C21H35N7O13P2S
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| Canonical SMILES |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(C(=O)NCCC(=O)NCCS)O
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| InChI |
1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1
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| InChIKey |
KDTSHFARGAKYJN-IBOSZNHHSA-N
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| CAS Number |
CAS 3633-59-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:15468
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phosphopantetheine adenylyltransferase (PPAT) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Pantothenate and CoA biosynthesis | |||
| Metabolic pathways | ||||
| WikiPathways | Metabolism of water-soluble vitamins and cofactors | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||
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