Nicotinamide 1,N6-ethenoadenine dinucleotide
HIT217585018
sdf文件结构编辑类似物检索
HIT ID: HIT217585018
Cas No: 38806-38-1
分子式: C23H27N7O14P2
分子量: 687.452
常用名: Nicotinamide 1,N6-ethenoadenine dinucleotide
常用名: Nicotinamide 1,N6-ethenoadenine dinucleotide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-carbamoyl-1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium
IUPAC: 3-carbamoyl-1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium
SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2ncn2ccnc32)[C@@H](O)[C@H]1O
SMILES: NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2ncn2ccnc32)[C@@H](O)[C@H]1O
InChI key: JCDBQDNBEQHDHK-BSLNIGMPSA-N
共显示2个结果
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SC
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Mcule
SC
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