Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L57EVO
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| Ligand Name |
[4-(6-Aminopurin-9-yl)-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-ylidene]-dioxidoazanium
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| Synonyms |
SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE; BDBM50370141; Q27093508
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| Structure |
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Download2D MOL |
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| Formula |
C16H16N8O19P3-
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| Canonical SMILES |
C1=C(C2(C(=CC1=[N+]([O-])[O-])[N+](=O)[O-])OC3C(OC(C3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-]
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| InChI |
1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1
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| InChIKey |
LQZBDVDATBCNNN-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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