Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LD0EN5
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| Ligand Name |
[(2S,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl-[[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl-hydroxyphosphoryl]oxy-hydroxyphosphinothioyl]oxyphosphinic acid
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| Structure |
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Download2D MOL
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| Formula |
C21H30N10O15P3S3+
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| Canonical SMILES |
CN1C=[N+](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CSP(=O)(O)OP(=S)(O)OP(=O)(O)SCC4C(C(C(O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)O
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| InChI |
1S/C21H29N10O15P3S3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(44-19)3-52-48(40,41)46-49(42,50)45-47(38,39)51-2-6-10(32)12(34)18(43-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,50)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-,49?/m1/s1
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| InChIKey |
UOUACWJATBZTPY-XQKRIUJOSA-O
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| PubChem Compound ID | ||||
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