Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2OW8D
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| Ligand Name |
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r,20r)-20-Carbamoyl-3-Hydroxy-2,2-Dimethyl-4,8,14,22-Tetraoxo-12-Thia-5,9,15,21-Tetraazatricos-1-Yl Dihydrogen Diphosphate
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| Synonyms |
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r,20r)-20-Carbamoyl-3-Hydroxy-2,2-Dimethyl-4,8,14,22-Tetraoxo-12-Thia-5,9,15,21-Tetraazatricos-1-Yl Dihydrogen Diphosphate; 01K; Lysine-COENZYME A derivative; 01K; (Acyl-CoA); [M+H]+;; Q27447200
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| Structure |
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Download2D MOL
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| Formula |
C31H53N10O19P3S
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| Canonical SMILES |
CC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(=O)N
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| InChI |
1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19-,23-,24-,25+,30-/m1/s1
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| InChIKey |
YGZKIOPJGFQDSR-VLHHDIFDSA-N
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| PubChem Compound ID | ||||
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