产品名称:
NAD-cation
其他名称: NAD-cation;NADion(1+)Absolute stereochemistry
CAS:865-05-4
其他名称: NAD-cation;NADion(1+)Absolute stereochemistry
CAS:865-05-4
结构信息
分子式 | C21H28N7O14P2 | 分子量 | 664.43 | ||
IUPAC Name | 1-[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid | ||||
InChIKey | SENPVEZBRZQVST-UHFFFAOYSA-O | ||||
InChI | InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1 | ||||
SMILES | C1=CC(=C[N+](=C1)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)C(=O)O |
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