| Properties | Image |
|---|
| MNX_ID | MNXM164750 |
 |
| reference | keggC:C21208 |
| formula | C23H38N3O21P3 |
| global charge | 0 |
| mol weight | 785.479 |
| InChIKey | OKUNGMRCJVTXFO-OTUITHQISA-N |
| InChI | InChI=1S/C23H38N3O21P3/c1-8-5-26(23(34)25-21(8)33)14-4-12(27)13(45-14)7-43-49(38,39)47-50(40,41)46-22-20(32)18(30)15(9(2)44-22)24-11-3-10(6-42-48(35,36)37)16(28)19(31)17(11)29/h3,5,9,11-20,22,24,27-32H,4,6-7H2,1-2H3,(H,38,39)(H,40,41)(H,25,33,34)(H2,35,36,37)/t9-,11+,12+,13-,14-,15-,16-,17+,18+,19+,20-,22-/m1/s1 |
| SMILES | Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@@H](N[C@H]4C=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O |
MNX internals
| InChI (mnx) | InChI=1/C23H38N3O21P3/c1-8-5-26(23(34)25-21(8)33)14-4-12(27)13(45-14)7-43-49(38,39)47-50(40,41)46-22-20(32)18(30)15(9(2)44-22)24-11-3-10(6-42-48(35,36)37)16(28)19(31)17(11)29/h3,5,9,11-20,22,24,27-32H,4,6-7H2,1-2H3,(H,38,39)(H,40,41)(H,25,33,34)(H2,35,36,37)/t9-,11+,12+,13-,14-,15-,16-,17+,18+,19+,20-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1([CH3:11])[C@H:2]([CH3:9])[C@@H:3]([CH3:10])[C@H:4]([CH2:16][C@H:17]2[C@@H:18]([CH3:23])[CH:19]([NH2:25])[C@@H:20]([PH:48][O:47]([O:44][O:43]([O:41][O:37][O@:32]3[O:28][N:26]([O:27]4[O:30](=[O:35])[O:34][O:39](=[O:42])[O:36]([OH:40])=[O:31]4)[O:29][O@@:33]3[OH:38])([OH:45])=[O:46])([PH2:49])=[PH:50])[CH2:21][C@H:22]2[NH2:24])[CH:5]=[C:6]1[CH2:7][CH2:8][C:12]([CH3:13])([CH3:14])=[CH2:15] |
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