| Properties | Image |
|---|
| MNX_ID | MNXM160377 |
 |
| reference | chebi:76020 |
| formula | C29H40N7O21P3 |
| global charge | 0 |
| mol weight | 915.589 |
| InChIKey | XJLMEOWSPZKEEC-OHIZJWKZSA-N |
| InChI | InChI=1S/C29H40N7O21P3/c1-13-8-35(28(41)32-25(13)38)23-6-16(19(54-23)11-50-58(43,44)45)56-60(48,49)52-12-20-17(7-24(55-20)36-9-14(2)26(39)33-29(36)42)57-59(46,47)51-10-18-15(37)5-22(53-18)34-4-3-21(30)31-27(34)40/h3-4,8-9,15-20,22-24,37H,5-7,10-12H2,1-2H3,(H,46,47)(H,48,49)(H2,30,31,40)(H,32,38,41)(H,33,39,42)(H2,43,44,45)/t15-,16-,17-,18+,19+,20+,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=CC(N)=NC4=O)C[C@@H]3O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H40N7O21P3/c1-13-8-35(28(41)32-25(13)38)23-6-16(19(54-23)11-50-58(43,44)45)56-60(48,49)52-12-20-17(7-24(55-20)36-9-14(2)26(39)33-29(36)42)57-59(46,47)51-10-18-15(37)5-22(53-18)34-4-3-21(30)31-27(34)40/h3-4,8-9,15-20,22-24,37H,5-7,10-12H2,1-2H3,(H,46,47)(H,48,49)(H2,30,31,40)(H,32,38,41)(H,33,39,42)(H2,43,44,45)/t15-,16-,17-,18+,19+,20+,22+,23+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[CH:8][N:35]([C@H:23]2[CH2:6][C@H:16]([O:56][P:60]([OH:48])(=[O:49])[O:52][CH2:12][C@@H:20]3[C@@H:17]([O:57][P:59]([OH:46])(=[O:47])[O:51][CH2:10][C@@H:18]4[C@@H:15]([OH:37])[CH2:5][C@H:22]([N:34]5[CH:4]=[CH:3][C:21](=[NH:30])[N:31]=[C:27]5[OH:40])[O:53]4)[CH2:7][C@H:24]([N:36]4[CH:9]=[C:14]([CH3:2])[C:26]([OH:39])=[N:33][C:29]4=[O:42])[O:55]3)[C@@H:19]([CH2:11][O:50][P:58]([OH:43])([OH:44])=[O:45])[O:54]2)[C:28](=[O:41])[N:32]=[C:25]1[OH:38] |
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