Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LEH8P7
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| Ligand Name |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[(9S,11R)-11-hydroxy-15,16-dimethyl-5,7-dioxo-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-2-yl]pentyl] hydrogen phosphate
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| Structure |
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Download2D MOL
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| Formula |
C36H49N9O16P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N(CNC(=O)NC(=O)CC(CC(N2)O)C3=CC=CC=C3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
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| InChI |
1S/C36H49N9O16P2/c1-18-8-22-23(9-19(18)2)44(16-41-36(53)43-28(49)11-21(10-27(48)42-22)20-6-4-3-5-7-20)12-24(46)30(50)25(47)13-58-62(54,55)61-63(56,57)59-14-26-31(51)32(52)35(60-26)45-17-40-29-33(37)38-15-39-34(29)45/h3-9,15,17,21,24-27,30-32,35,42,46-48,50-52H,10-14,16H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,43,49,53)/t21-,24-,25+,26+,27+,30-,31+,32+,35+/m0/s1
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| InChIKey |
SBYKCXFDZHDKMO-WNNJLNMTSA-N
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| PubChem Compound ID | ||||
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