| Properties | Image |
|---|
| MNX_ID | MNXM161614 |
 |
| reference | chebi:75041 |
| formula | C30H40N6O19P2 |
| global charge | 0 |
| mol weight | 850.621 |
| InChIKey | NHNQSCZKEGUUKX-DNIZJRTKSA-N |
| InChI | InChI=1S/C30H40N6O19P2/c1-13-7-34(28(42)31-25(13)39)22-4-16(38)20(52-22)11-49-56(45,46)55-18-6-24(36-9-15(3)27(41)33-30(36)44)53-21(18)12-50-57(47,48)54-17-5-23(51-19(17)10-37)35-8-14(2)26(40)32-29(35)43/h7-9,16-24,37-38H,4-6,10-12H2,1-3H3,(H,45,46)(H,47,48)(H,31,39,42)(H,32,40,43)(H,33,41,44)/t16-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3O)[C@@H](CO)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H40N6O19P2/c1-13-7-34(28(42)31-25(13)39)22-4-16(38)20(52-22)11-49-56(45,46)55-18-6-24(36-9-15(3)27(41)33-30(36)44)53-21(18)12-50-57(47,48)54-17-5-23(51-19(17)10-37)35-8-14(2)26(40)32-29(35)43/h7-9,16-24,37-38H,4-6,10-12H2,1-3H3,(H,45,46)(H,47,48)(H,31,39,42)(H,32,40,43)(H,33,41,44)/t16-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[CH:7][N:34]([C@H:22]2[CH2:4][C@H:16]([OH:38])[C@@H:20]([CH2:11][O:49][P:56]([OH:45])(=[O:46])[O:55][C@H:18]3[CH2:6][C@H:24]([N:36]4[CH:9]=[C:15]([CH3:3])[C:27]([OH:41])=[N:33][C:30]4=[O:44])[O:53][C@@H:21]3[CH2:12][O:50][P:57]([OH:47])(=[O:48])[O:54][C@H:17]3[CH2:5][C@H:23]([N:35]4[CH:8]=[C:14]([CH3:2])[C:26]([OH:40])=[N:32][C:29]4=[O:43])[O:51][C@@H:19]3[CH2:10][OH:37])[O:52]2)[C:28](=[O:42])[N:31]=[C:25]1[OH:39] |
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