Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L9DF0B
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| Ligand Name |
[[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
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| Structure |
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Download2D MOL
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| Formula |
C38H50N10O15P2
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| Canonical SMILES |
CCC(=N)CC(C1=CC=CC=C1)C23C(NC(=O)NC2=O)N(C4=C(N3)C=C(C(=C4)C)C)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O)O
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| InChI |
1S/C38H50N10O15P2/c1-4-21(39)12-22(20-8-6-5-7-9-20)38-35(44-37(55)45-36(38)54)47(24-11-19(3)18(2)10-23(24)46-38)13-25(49)29(51)26(50)14-60-64(56,57)63-65(58,59)61-15-27-30(52)31(53)34(62-27)48-17-43-28-32(40)41-16-42-33(28)48/h5-11,16-17,22,25-27,29-31,34-35,39,46,49-53H,4,12-15H2,1-3H3,(H,56,57)(H,58,59)(H2,40,41,42)(H2,44,45,54,55)/t22-,25-,26+,27+,29-,30+,31+,34+,35-,38-/m0/s1
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| InChIKey |
MOIGHOAOYPRHPC-IMPXOKITSA-N
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| PubChem Compound ID | ||||
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