Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LK86QG
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| Ligand Name |
{(2r,3s,4r,5r)-5-[(4s)-3-(Aminocarbonyl)-4-(2-Ethylisonicotinoyl)pyridin-1(4h)-Yl]-3,4-Dihydroxytetrahydrofuran-2-Yl}methyl [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate
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| Synonyms |
{(2r,3s,4r,5r)-5-[(4s)-3-(Aminocarbonyl)-4-(2-Ethylisonicotinoyl)pyridin-1(4h)-Yl]-3,4-Dihydroxytetrahydrofuran-2-Yl}methyl [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate; Q27459878; 2-ETHYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
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| Structure |
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Download2D MOL
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| Formula |
C29H36N8O15P2
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| Canonical SMILES |
CCC1=NC=CC(=C1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O
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| InChI |
1S/C29H36N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,15,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H2,31,43)(H,44,45)(H,46,47)(H2,30,33,34)/t15-,17+,18+,21+,22+,23+,24+,28+,29+/m0/s1
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| InChIKey |
KVEIKWLOSUPDGF-OYBINNFYSA-N
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| PubChem Compound ID | ||||
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