| Properties | Image |
|---|
| MNX_ID | MNXM117128 |
 |
| reference | chebi:142723 |
| formula | C17H23N5O15P2 |
| global charge | -2 |
| mol weight | 599.339 |
| InChIKey | HNHCIVXQBMBKPQ-YDKGJHSESA-L |
| InChI | InChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1 |
| SMILES | CC(=O)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)OC(O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6](=[O:23])[O:34][C@@H:13]1[C@@H:8]([CH2:3][O:33][P:39]([OH:30])(=[O:31])[O:37][P:38]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:7]2[C@@H:10]([OH:24])[C@@H:11]([OH:25])[C@H:16]([N:22]3[CH:5]=[N:21][C:9]4=[C:14]([NH2:18])[N:19]=[CH:4][N:20]=[C:15]43)[O:35]2)[O:36][CH:17]([OH:27])[C@@H:12]1[OH:26] |
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