| Properties | Image |
|---|
| MNX_ID | MNXM101544 |
 |
| reference | chebi:65332 |
| formula | C26H40N7O20P3S |
| global charge | -4 |
| mol weight | 895.624 |
| InChIKey | QPIDRKLSWXSKDV-JIRKQKIOSA-J |
| InChI | InChI=1S/C26H44N7O20P3S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-57)9-49-56(45,46)53-55(43,44)48-8-13-17(36)19(24(50-13)33-11-32-15-21(27)30-10-31-22(15)33)52-25-18(37)16(35)12(51-25)7-47-54(40,41)42/h10-13,16-20,24-25,35-38,57H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t12-,13-,16-,17-,18-,19-,20+,24-,25+/m1/s1 |
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS |
MNX internals
| InChI (mnx) | InChI=1/C26H44N7O20P3S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-57)9-49-56(45,46)53-55(43,44)48-8-13-17(36)19(24(50-13)33-11-32-15-21(27)30-10-31-22(15)33)52-25-18(37)16(35)12(51-25)7-47-54(40,41)42/h10-13,16-20,24-25,35-38,57H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20+,24-,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:26]([CH3:2])([CH2:9][O:49][P:56]([OH:45])(=[O:46])[O:53][P:55]([OH:43])(=[O:44])[O:48][CH2:8][C@@H:13]1[C@@H:17]([OH:36])[C@@H:19]([O:52][C@H:25]2[C@H:18]([OH:37])[C@H:16]([OH:35])[C@@H:12]([CH2:7][O:47][P:54]([OH:40])([OH:41])=[O:42])[O:51]2)[C@H:24]([N:33]2[CH:11]=[N:32][C:15]3=[C:21]([NH2:27])[N:30]=[CH:10][N:31]=[C:22]32)[O:50]1)[C@H:20]([C:23](=[N:29][CH2:4][CH2:3][C:14](=[N:28][CH2:5][CH2:6][SH:57])[OH:34])[OH:39])[OH:38] |
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