| Properties | Image |
|---|
| MNX_ID | MNXM146525 |
 |
| reference | chebi:77176 |
| formula | C21H27N7O14P2 |
| global charge | -2 |
| mol weight | 663.43 |
| InChIKey | BOPGDPNILDQYTO-OPDHFMQKSA-L |
| InChI | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 |
| SMILES | NC(=O)C1=CN([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 |
MNX internals
| InChI (mnx) | InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][N:27]([C@@H:20]2[C@H:15]([OH:31])[C@H:13]([OH:29])[C@@H:10]([CH2:5][O:38][P:43]([OH:34])(=[O:35])[O:42][P:44]([OH:36])(=[O:37])[O:39][CH2:6][C@@H:11]3[C@@H:14]([OH:30])[C@@H:16]([OH:32])[C@H:21]([N:28]4[CH:8]=[N:26][C:12]5=[C:17]([NH2:22])[N:24]=[CH:7][N:25]=[C:19]54)[O:41]3)[O:40]2)[CH:4]=[C:9]([C:18](=[NH:23])[OH:33])[CH2:2]1 |
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