| Properties | Image |
|---|
| MNX_ID | MNXM162744 |
 |
| reference | sabiorkM:20954 |
| formula | C23H38N7O16P3S2 |
| global charge | 0 |
| mol weight | 825.646 |
| InChIKey | ILDXFYGFXOQPHK-ZSJPKINUSA-N |
| InChI | InChI=1S/C23H38N7O16P3S2/c1-12(50)51-7-6-25-14(31)4-5-26-21(34)18(33)23(2,3)9-43-49(40,41)46-48(38,39)42-8-13-17(45-47(35,36)37)16(32)22(44-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,32-33H,4-9H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1 |
| SMILES | CC(=S)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(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 |
MNX internals
| InChI (mnx) | InChI=1/C23H38N7O16P3S2/c1-12(50)51-7-6-25-14(31)4-5-26-21(34)18(33)23(2,3)9-43-49(40,41)46-48(38,39)42-8-13-17(45-47(35,36)37)16(32)22(44-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,32-33H,4-9H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12](=[S:50])[S:51][CH2:7][CH2:6][N:25]=[C:14]([CH2:4][CH2:5][N:26]=[C:21]([C@@H:18]([C:23]([CH3:2])([CH3:3])[CH2:9][O:43][P:49]([OH:40])(=[O:41])[O:46][P:48]([OH:38])(=[O:39])[O:42][CH2:8][C@@H:13]1[C@@H:17]([O:45][P:47]([OH:35])([OH:36])=[O:37])[C@@H:16]([OH:32])[C@H:22]([N:30]2[CH:11]=[N:29][C:15]3=[C:19]([NH2:24])[N:27]=[CH:10][N:28]=[C:20]32)[O:44]1)[OH:33])[OH:34])[OH:31] |
|