| Properties | Image |
|---|
| MNX_ID | MNXM166184 |
 |
| reference | sabiorkM:26437 |
| formula | C26H42N7O20P3S |
| global charge | 0 |
| mol weight | 897.64 |
| InChIKey | IIYZSYKTQRIPRG-MJBWAWCGSA-N |
| InChI | InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,19-,20-,21+,25-/m1/s1 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(O)CC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,19-,20-,21+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:26]([CH3:2])([CH2:10][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:9][C@@H:14]1[C@@H:20]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:19]([OH:39])[C@H:25]([N:33]2[CH:12]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:11][N:31]=[C:23]32)[O:51]1)[C@H:21]([C:24](=[N:29][CH2:4][CH2:3][C:15](=[N:28][CH2:5][CH2:6][S:57][C:17]([CH2:8][CH:13]([CH2:7][C:16](=[O:36])[OH:37])[OH:34])=[O:38])[OH:35])[OH:41])[OH:40] |
|