| Properties | Image |
|---|
| MNX_ID | MNXM1100730 |
 |
| reference | metacycM:CPD-17206 |
| formula | C16H25N6O14P2 |
| global charge | -1 |
| mol weight | 587.352 |
| InChIKey | NTKQEVHDGWNXHS-GCLYWQDASA-M |
| InChI | InChI=1S/C16H26N6O14P2/c1-4-8(23)6(17)10(25)15(33-4)35-38(30,31)36-37(28,29)32-2-5-9(24)11(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/p-1/t4-,5-,6+,8-,9-,10+,11-,14-,15-/m1/s1 |
| SMILES | C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]([NH3+])[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O14P2/c1-4-8(23)6(17)10(25)15(33-4)35-38(30,31)36-37(28,29)32-2-5-9(24)11(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6+,8-,9-,10+,11-,14-,15-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:4]1[C@@H:8]([OH:23])[C@H:6]([NH2:17])[C@H:10]([OH:25])[C@@H:15]([O:35][P:38]([OH:30])(=[O:31])[O:36][P:37]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:5]2[C@@H:9]([OH:24])[C@@H:11]([OH:26])[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:27])[O:34]2)[O:33]1 |
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