Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LFJ14S
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| Ligand Name |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-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 dip
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| Synonyms |
Q27460190; [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-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 dip
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| Structure |
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Download2D MOL
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| Formula |
C36H43N9O16P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N3C(=O)CC(C34C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O)O)NC(=O)NC4=O)C8=CC=CC=C8
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| InChI |
1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-24,27-29,32-33,46-47,49-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,42,52,53)/t19-,22+,23-,24-,27+,28-,29-,32-,33-,36+/m1/s1
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| InChIKey |
QWOOVYWBGZGGNV-ITRBMUPBSA-N
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| PubChem Compound ID | ||||
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