Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LCV3K4
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Ligand Name |
Benzamide adenine nucleotide
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Synonyms |
Benzamide adenine nucleotide; 156724-91-3; benzamideadeninedinucleoside; Benzamide Adenine Dinucleotide; CHEMBL233434; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate; [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name); DQV; DTXSID40166119; BDBM50203628; Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-beta-D-ribofuranosylbenzamide
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Structure |
Download2D MOL |
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Formula |
C22H28N6O14P2
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Canonical SMILES |
C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
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InChI |
1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
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InChIKey |
HNKKJJHKTPALEK-RACQCECLSA-N
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PubChem Compound ID |
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