| Properties | Image |
|---|
| MNX_ID | MNXM1100934 |
 |
| reference | chebi:232292 |
| formula | C22H29N4O19P2 |
| global charge | -3 |
| mol weight | 715.431 |
| InChIKey | WAFROVLSXQEOIX-FMTQOTBGSA-K |
| InChI | InChI=1S/C22H32N4O19P2/c1-8-14(24-12(29)4-3-10(28)20(34)35)17(32)15(23-9(2)27)21(42-8)44-47(39,40)45-46(37,38)41-7-11-16(31)18(33)19(43-11)26-6-5-13(30)25-22(26)36/h5-6,8,11,14-19,21,31-33H,3-4,7H2,1-2H3,(H,23,27)(H,24,29)(H,34,35)(H,37,38)(H,39,40)(H,25,30,36)/p-3/t8-,11-,14+,15-,16-,17+,18-,19-,21-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@H](NC(=O)CCC(=O)C(=O)[O-])[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H32N4O19P2/c1-8-14(24-12(29)4-3-10(28)20(34)35)17(32)15(23-9(2)27)21(42-8)44-47(39,40)45-46(37,38)41-7-11-16(31)18(33)19(43-11)26-6-5-13(30)25-22(26)36/h5-6,8,11,14-19,21,31-33H,3-4,7H2,1-2H3,(H,23,27)(H,24,29)(H,34,35)(H,37,38)(H,39,40)(H,25,30,36)/t8-,11-,14+,15-,16-,17+,18-,19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[C@H:14]([N:24]=[C:12]([CH2:4][CH2:3][C:10]([C:20]([OH:34])=[O:35])=[O:28])[OH:29])[C@H:17]([OH:32])[C@@H:15]([N:23]=[C:9]([CH3:2])[OH:27])[C@@H:21]([O:44][P:47]([OH:39])(=[O:40])[O:45][P:46]([OH:37])(=[O:38])[O:41][CH2:7][C@@H:11]2[C@@H:16]([OH:31])[C@@H:18]([OH:33])[C@H:19]([N:26]3[CH:6]=[CH:5][C:13]([OH:30])=[N:25][C:22]3=[O:36])[O:43]2)[O:42]1 |
|