| Properties | Image |
|---|
| MNX_ID | MNXM20161 |
 |
| reference | chebi:27529 |
| formula | C20H27N10O16P3 |
| global charge | 0 |
| mol weight | 756.412 |
| InChIKey | ARWCWVFBZSAGRB-UWWQKWQGSA-N |
| InChI | InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(38,39)46-49(40,45-47(35,36)37)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t7-,8-,11-,12-,13-,14-,19-,20-,49?/m1/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(38,39)46-49(40,45-47(35,36)37)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t7-,8-,11-,12-,13-,14-,19-,20-,49?/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:7]1[C@@H:11]([OH:31])[C@@H:13]([OH:33])[C@H:19]([N:29]2[CH:5]=[N:27][C:9]3=[C:15]([NH2:21])[N:23]=[CH:3][N:25]=[C:17]32)[O:43]1)[O:41][P:48]([OH:38])(=[O:39])[O:46][P:49](=[O:40])([O:42][CH2:2][C@@H:8]1[C@@H:12]([OH:32])[C@@H:14]([OH:34])[C@H:20]([N:30]2[CH:6]=[N:28][C:10]3=[C:16]([NH2:22])[N:24]=[CH:4][N:26]=[C:18]32)[O:44]1)[O:45][P:47]([OH:35])([OH:36])=[O:37] |
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