| Properties | Image |
|---|
| MNX_ID | MNXM819706 |
 |
| reference | sabiorkM:30204 |
| formula | C25H38N7O20P3S |
| global charge | 0 |
| mol weight | 881.597 |
| InChIKey | IKHBAKGPKBJPHD-IEXPHMLFSA-N |
| InChI | InChI=1S/C25H38N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-11,13,17-19,23,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t13-,17-,18-,19+,23-/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)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H38N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-11,13,17-19,23,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t13-,17-,18-,19+,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]([CH3:2])([CH2:9][O:49][P:55]([OH:46])(=[O:47])[O:52][P:54]([OH:44])(=[O:45])[O:48][CH2:8][C@@H:13]1[C@@H:18]([O:51][P:53]([OH:41])([OH:42])=[O:43])[C@@H:17]([OH:36])[C@H:23]([N:32]2[CH:11]=[N:31][C:16]3=[C:20]([NH2:26])[N:29]=[CH:10][N:30]=[C:21]32)[O:50]1)[C@H:19]([C:22](=[N:28][CH2:4][CH2:3][C:14](=[N:27][CH2:5][CH2:6][S:56][C:15]([CH2:7][C:12]([C:24]([OH:39])=[O:40])=[O:33])=[O:35])[OH:34])[OH:38])[OH:37] |
|