Name: 1-Deaza-fad
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714037
Cas No:57818-88-9
常用名:1-Deaza-fad
别名:Deazafad, 5-Deazariboflavin-5'-diphosphate, 1-deazaFAD
别名:Deazafad, 5-Deazariboflavin-5'-diphosphate, 1-deazaFAD
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
InChI key:GLDULYQMIPGSPD-AUSFFQRRSA-N

分子式:C28H34N8O15P2
分子量:784.569
氢键供体数 (HBD):9
氢键受体数 (HBA):18
LogP:-5.5233684
SMILES:Cc1cc2cc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C |@@:23,27|
SMILES:Cc1cc2cc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C |@@:23,27|

1-Deaza-fad also known as Deazafad. 1-deazaFAD has comparable activity in the mutase reconstituted.

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