| Properties | Image |
|---|
| MNX_ID | MNXM1412666 |
 |
| reference | chebi:233205 |
| formula | C28H53N10O15P |
| global charge | 4 |
| mol weight | 800.761 |
| InChIKey | DENDEGYWGZOPLE-SSNDPNLPSA-R |
| InChI | InChI=1S/C28H49N10O15P/c29-3-12-11(53-54(45,46)47-5-14-18(41)20(43)26(48-14)38-7-37-16-24(34)35-6-36-25(16)38)2-10(32)27(49-12)51-22-8(30)1-9(31)23(21(22)44)52-28-19(42)15(33)17(40)13(4-39)50-28/h6-15,17-23,26-28,39-44H,1-5,29-33H2,(H,45,46)(H2,34,35,36)/p+4/t8-,9+,10+,11-,12+,13+,14+,15-,17+,18+,19+,20+,21-,22+,23-,26+,27+,28+/m0/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2C[C@@H]([NH3+])[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]4O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2C[NH3+])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H49N10O15P/c29-3-12-11(53-54(45,46)47-5-14-18(41)20(43)26(48-14)38-7-37-16-24(34)35-6-36-25(16)38)2-10(32)27(49-12)51-22-8(30)1-9(31)23(21(22)44)52-28-19(42)15(33)17(40)13(4-39)50-28/h6-15,17-23,26-28,39-44H,1-5,29-33H2,(H,45,46)(H2,34,35,36)/t8-,9+,10+,11-,12+,13+,14+,15-,17+,18+,19+,20+,21-,22+,23-,26+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:8]([NH2:30])[C@@H:22]([O:51][C@@H:27]2[C@H:10]([NH2:32])[CH2:2][C@H:11]([O:53][P:54]([OH:45])(=[O:46])[O:47][CH2:5][C@@H:14]3[C@@H:18]([OH:41])[C@@H:20]([OH:43])[C@H:26]([N:38]4[CH:7]=[N:37][C:16]5=[C:24]([NH2:34])[N:35]=[CH:6][N:36]=[C:25]54)[O:48]3)[C@@H:12]([CH2:3][NH2:29])[O:49]2)[C@H:21]([OH:44])[C@@H:23]([O:52][C@@H:28]2[C@H:19]([OH:42])[C@@H:15]([NH2:33])[C@H:17]([OH:40])[C@@H:13]([CH2:4][OH:39])[O:50]2)[C@@H:9]1[NH2:31] |
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