| Properties | Image |
|---|
| MNX_ID | MNXM50305 |
 |
| reference | hmdb:HMDB0001433 |
| formula | C20H31N10O28P7 |
| global charge | 0 |
| mol weight | 1076.328 |
| InChIKey | IBORMIZOWBHWTG-XPWFQUROSA-N |
| InChI | InChI=1S/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](N5C=NC6=C(N)N=CN=C65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C20H31N10O28P7/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(51-19)1-49-59(35,36)53-61(39,40)55-63(43,44)57-65(47,48)58-64(45,46)56-62(41,42)54-60(37,38)50-2-8-12(32)14(34)20(52-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:7]1[C@@H:11]([OH:31])[C@@H:13]([OH:33])[C@H:19]([N:29]2[CH:5]=[N:27][C:9]3=[C:15]([NH2:21])[N:23]=[CH:3][N:25]=[C:17]32)[O:51]1)[O:49][P:59]([OH:35])(=[O:36])[O:53][P:61]([OH:39])(=[O:40])[O:55][P:63]([OH:43])(=[O:44])[O:57][P:65]([OH:47])(=[O:48])[O:58][P:64]([OH:45])(=[O:46])[O:56][P:62]([OH:41])(=[O:42])[O:54][P:60]([OH:37])(=[O:38])[O:50][CH2:2][C@@H:8]1[C@@H:12]([OH:32])[C@@H:14]([OH:34])[C@H:20]([N:30]2[CH:6]=[N:28][C:10]3=[C:16]([NH2:22])[N:24]=[CH:4][N:26]=[C:18]32)[O:52]1 |
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