Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6DB5N
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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)-5-[(1S,4R)-4-amino-4,8,9-trimethyl-15,17-dioxo-2-phenyl-5,12,14,16-tetrazatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7,9,13-tetraen-12-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate
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| Synonyms |
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-Amino-1,10,11-Trimethyl-4,6-Dioxo-3-Phenyl-2,3,5,6,7,7a-Hexahydro-1h-Benzo[g]pyrrolo[2,1-E]pteridin-8(4h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate; D51
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| Structure |
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Download2D MOL
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| Formula |
C37H46N10O15P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O)O)C8=CC=CC=C8)(C)N
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| InChI |
1S/C37H46N10O15P2/c1-17-9-21-22(10-18(17)2)47-36(3,39)11-20(19-7-5-4-6-8-19)37(47)33(43-35(54)44-34(37)53)45(21)12-23(48)27(50)24(49)13-59-63(55,56)62-64(57,58)60-14-25-28(51)29(52)32(61-25)46-16-42-26-30(38)40-15-41-31(26)46/h4-10,15-16,20,23-25,27-29,32,48-52H,11-14,39H2,1-3H3,(H,55,56)(H,57,58)(H2,38,40,41)(H,44,53,54)/t20?,23-,24+,25+,27-,28+,29+,32+,36+,37-/m0/s1
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| InChIKey |
BESZWZCPEZHBDA-HOERZWOWSA-N
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| PubChem Compound ID | ||||
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