Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3KNE1
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| Ligand Name |
[[(2r,3s,4s)-5-[(4as)-7,8-Dimethyl-2,4-Dioxo-4a,5-Dihydrobenzo[g]pteridin-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Hydrogen Phosphate
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| Synonyms |
[[(2r,3s,4s)-5-[(4as)-7,8-Dimethyl-2,4-Dioxo-4a,5-Dihydrobenzo[g]pteridin-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Hydrogen Phosphate; Q27460194
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| Structure |
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Download2D MOL
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| Formula |
C27H35N9O15P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3N2)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/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,18-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,18-,19-,20+,21+,26+/m0/s1
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| InChIKey |
SDBHOOIZTSVSKT-LDVRFEIFSA-N
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| PubChem Compound ID | ||||
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