| 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 | CC1=CN([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)NC1=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) | [CH3:1][C:8]1=[CH:5][N:26]([C@H:14]2[CH2:4][C@H:12]([OH:27])[C@@H:13]([CH2:7][O:43][P:49]([OH:38])(=[O:39])[O:47][P:50]([OH:40])(=[O:41])[O:46][C@@H:22]3[C@H:20]([OH:32])[C@@H:18]([OH:30])[C@H:15]([NH:24][C@H:11]4[CH:3]=[C:10]([CH2:6][O:42][P:48]([OH:35])([OH:36])=[O:37])[C@@H:16]([OH:28])[C@H:19]([OH:31])[C@H:17]4[OH:29])[C@@H:9]([CH3:2])[O:44]3)[O:45]2)[C:23](=[O:34])[N:25]=[C:21]1[OH:33] |
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