Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W3NA
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| Former ID |
DNC003037
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| Drug Name |
Coenzyme A
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| Synonyms |
coenzyme A; CoASH; CoA-SH; Zeel; 85-61-0; Depot-Zeel; CoA; HSCoA; Coenzym A; Coenzyme ASH; co-enzyme-A; UNII-SAA04E81UX; HS-CoA; SAA04E81UX; CHEBI:15346; 3'-phosphoadenosine-(5')diphospho(4')pantatheine; Coenzyme A hydrate; co-A; Co-A-SH; Reduced CoA; 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen 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 |
C21H36N7O16P3S
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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)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
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| InChI |
1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
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| InChIKey |
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
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| CAS Number |
CAS 85-61-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3312, 584781, 585803, 820209, 821306, 821310, 821978, 821981, 821983, 822315, 825209, 826268, 826273, 826648, 826649, 827349, 827479, 828508, 829102, 829243, 829831, 829832, 830028, 830070, 830114, 831197, 831239, 832661, 832832, 832850, 833892, 835941, 836037, 836039, 836309, 836925, 837304, 838522, 838860, 841100, 854565, 854707, 854711, 854757, 854939, 854940, 7886704, 8012126, 8015117, 8017121
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| ChEBI ID |
CHEBI:15346
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3044). | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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