| Properties | Image |
|---|
| MNX_ID | MNXM1372146 |
 |
| reference | metacycM:CPD-14880 |
| formula | C15H20N5O13P2 |
| global charge | -1 |
| mol weight | 540.295 |
| InChIKey | RSEFDAKYCYLNIE-KEOHHSTQSA-M |
| InChI | InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/p-1/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 |
| SMILES | NC1=C2N=CN3C2=NC=[N+]1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@@H:5]2[C@@H:8]([OH:21])[C@@H:10]([OH:23])[C@H:14]([N+:19]3=[C:12]([NH2:16])[C:7]4=[C:13]([N:18]=[CH:4]3)[N:20]([CH:3]=[N:17]4)[C@H:15]3[C@H:11]([OH:24])[C@H:9]([OH:22])[C@@H:6]([CH2:2][O:30][P:35](=[O:27])([OH:28])[O:33][P:34](=[O:25])([O-:26])[O:29]1)[O:32]3)[O:31]2 |
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