| Properties | Image |
|---|
| MNX_ID | MNXM155016 |
 |
| reference | chebi:74952 |
| formula | C30H41N6O22P3 |
| global charge | 0 |
| mol weight | 930.6 |
| InChIKey | WUURCCCLYPVEDU-DNIZJRTKSA-N |
| InChI | InChI=1S/C30H41N6O22P3/c1-13-7-34(28(41)31-25(13)38)22-4-16(37)19(54-22)10-52-60(47,48)58-18-6-24(36-9-15(3)27(40)33-30(36)43)56-21(18)12-53-61(49,50)57-17-5-23(55-20(17)11-51-59(44,45)46)35-8-14(2)26(39)32-29(35)42/h7-9,16-24,37H,4-6,10-12H2,1-3H3,(H,47,48)(H,49,50)(H,31,38,41)(H,32,39,42)(H,33,40,43)(H2,44,45,46)/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](COP(=O)(O)O)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H41N6O22P3/c1-13-7-34(28(41)31-25(13)38)22-4-16(37)19(54-22)10-52-60(47,48)58-18-6-24(36-9-15(3)27(40)33-30(36)43)56-21(18)12-53-61(49,50)57-17-5-23(55-20(17)11-51-59(44,45)46)35-8-14(2)26(39)32-29(35)42/h7-9,16-24,37H,4-6,10-12H2,1-3H3,(H,47,48)(H,49,50)(H,31,38,41)(H,32,39,42)(H,33,40,43)(H2,44,45,46)/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:37])[C@@H:19]([CH2:10][O:52][P:60]([OH:47])(=[O:48])[O:58][C@H:18]3[CH2:6][C@H:24]([N:36]4[CH:9]=[C:15]([CH3:3])[C:27]([OH:40])=[N:33][C:30]4=[O:43])[O:56][C@@H:21]3[CH2:12][O:53][P:61]([OH:49])(=[O:50])[O:57][C@H:17]3[CH2:5][C@H:23]([N:35]4[CH:8]=[C:14]([CH3:2])[C:26]([OH:39])=[N:32][C:29]4=[O:42])[O:55][C@@H:20]3[CH2:11][O:51][P:59]([OH:44])([OH:45])=[O:46])[O:54]2)[C:28](=[O:41])[N:31]=[C:25]1[OH:38] |
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