| Properties | Image |
MNX_ID | MNXM166892 |
 |
reference | chebi:142753 |
formula | C20H24N10O11P |
global charge | -1 |
mol weight | 611.445 |
InChIKey | LWBLDUTUVIXFJE-INFSMZHSSA-M |
InChI | InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/p-1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](N4C=NC5=C4N=CN=C5N)O[C@@H]3CO)[C@@H](O)[C@H]2O)C(=O)N1 |
MNX internals
InChI (mnx) | InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
 |
SMILES (mnx) | [CH2:1]([C@@H:6]1[C@@H:13]([O:41][P:42]([OH:36])(=[O:37])[O:38][CH2:2][C@@H:7]2[C@@H:10]([OH:32])[C@@H:11]([OH:33])[C@H:18]([N:30]3[CH:5]=[N:26][C:9]4=[C:16]3[NH:27][C:20](=[NH:22])[N:28]=[C:17]4[OH:35])[O:40]2)[C@@H:12]([OH:34])[C@H:19]([N:29]2[CH:4]=[N:25][C:8]3=[C:14]([NH2:21])[N:23]=[CH:3][N:24]=[C:15]32)[O:39]1)[OH:31] |
|