| Properties | Image |
|---|
| MNX_ID | MNXM11656 |
 |
| reference | metacycM:CPD-13161 |
| formula | C18H26N6O16P2 |
| global charge | -2 |
| mol weight | 644.38 |
| InChIKey | YSGZPIQQWTZUCT-APAGVSPHSA-L |
| InChI | InChI=1S/C18H28N6O16P2/c1-5(26)21-8-12(29)10(27)6(2-25)38-17(8)39-42(34,35)40-41(32,33)36-3-7-11(28)13(30)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)31/h4,6-8,10-13,16-17,25,27-30H,2-3H2,1H3,(H,21,26)(H,32,33)(H,34,35)(H3,19,22,23,31)/p-2/t6-,7-,8-,10-,11-,12-,13-,16-,17-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N6O16P2/c1-5(26)21-8-12(29)10(27)6(2-25)38-17(8)39-42(34,35)40-41(32,33)36-3-7-11(28)13(30)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)31/h4,6-8,10-13,16-17,25,27-30H,2-3H2,1H3,(H,21,26)(H,32,33)(H,34,35)(H3,19,22,23,31)/t6-,7-,8-,10-,11-,12-,13-,16-,17-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:21][C@@H:8]1[C@@H:12]([OH:29])[C@H:10]([OH:27])[C@@H:6]([CH2:2][OH:25])[O:38][C@@H:17]1[O:39][P:42]([OH:34])(=[O:35])[O:40][P:41]([OH:32])(=[O:33])[O:36][CH2:3][C@@H:7]1[C@@H:11]([OH:28])[C@@H:13]([OH:30])[C@H:16]([N:24]2[CH:4]=[N:20][C:9]3=[C:14]2[NH:22][C:18](=[NH:19])[N:23]=[C:15]3[OH:31])[O:37]1)[OH:26] |
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