| Properties | Image |
|---|
| MNX_ID | MNXM11652 |
 |
| reference | metacycM:CPD-13160 |
| formula | C16H25N6O15P2 |
| global charge | -1 |
| mol weight | 603.351 |
| InChIKey | CZHRVVGEBCIWJP-MZLYXUEVSA-M |
| InChI | InChI=1S/C16H26N6O15P2/c17-6-10(26)8(24)4(1-23)35-15(6)36-39(31,32)37-38(29,30)33-2-5-9(25)11(27)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2,17H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/p-1/t4-,5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H](O)[C@H]2O)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O15P2/c17-6-10(26)8(24)4(1-23)35-15(6)36-39(31,32)37-38(29,30)33-2-5-9(25)11(27)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2,17H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]1[C@@H:8]([OH:24])[C@H:10]([OH:26])[C@@H:6]([NH2:17])[C@@H:15]([O:36][P:39]([OH:31])(=[O:32])[O:37][P:38]([OH:29])(=[O:30])[O:33][CH2:2][C@@H:5]2[C@@H:9]([OH:25])[C@@H:11]([OH:27])[C@H:14]([N:22]3[CH:3]=[N:19][C:7]4=[C:12]3[NH:20][C:16](=[NH:18])[N:21]=[C:13]4[OH:28])[O:34]2)[O:35]1)[OH:23] |
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