| Properties | Image |
|---|
| MNX_ID | MNXM160362 |
 |
| reference | chebi:76777 |
| formula | C30H35N12O22P3 |
| global charge | 0 |
| mol weight | 1008.594 |
| InChIKey | XJYREXYMJAFEHE-UQTMIEBXSA-N |
| InChI | InChI=1S/C30H35N12O22P3/c43-16-10(60-28(17(16)44)40-7-37-13-22(40)31-4-34-25(13)47)1-58-66(53,54)64-21-12(62-30(19(21)46)42-9-39-15-24(42)33-6-36-27(15)49)3-59-67(55,56)63-20-11(2-57-65(50,51)52)61-29(18(20)45)41-8-38-14-23(41)32-5-35-26(14)48/h4-12,16-21,28-30,43-46H,1-3H2,(H,53,54)(H,55,56)(H,31,34,47)(H,32,35,48)(H,33,36,49)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 |
| SMILES | O=C1NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](N3C=NC4=C3N=CNC4=O)O[C@@H]2COP(=O)(O)O[C@H]2[C@@H](O)[C@H](N3C=NC4=C3N=CNC4=O)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H35N12O22P3/c43-16-10(60-28(17(16)44)40-7-37-13-22(40)31-4-34-25(13)47)1-58-66(53,54)64-21-12(62-30(19(21)46)42-9-39-15-24(42)33-6-36-27(15)49)3-59-67(55,56)63-20-11(2-57-65(50,51)52)61-29(18(20)45)41-8-38-14-23(41)32-5-35-26(14)48/h4-12,16-21,28-30,43-46H,1-3H2,(H,53,54)(H,55,56)(H,31,34,47)(H,32,35,48)(H,33,36,49)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:10]1[C@@H:16]([OH:43])[C@@H:17]([OH:44])[C@H:28]([N:40]2[CH:7]=[N:37][C:13]3=[C:22]2[N:31]=[CH:4][N:34]=[C:25]3[OH:47])[O:60]1)[O:58][P:66]([OH:53])(=[O:54])[O:64][C@@H:21]1[C@@H:12]([CH2:3][O:59][P:67]([OH:55])(=[O:56])[O:63][C@@H:20]2[C@@H:11]([CH2:2][O:57][P:65]([OH:50])([OH:51])=[O:52])[O:61][C@@H:29]([N:41]3[CH:8]=[N:38][C:14]4=[C:23]3[N:32]=[CH:5][N:35]=[C:26]4[OH:48])[C@@H:18]2[OH:45])[O:62][C@@H:30]([N:42]2[CH:9]=[N:39][C:15]3=[C:24]2[N:33]=[CH:6][N:36]=[C:27]3[OH:49])[C@@H:19]1[OH:46] |
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