| Properties | Image |
|---|
| MNX_ID | MNXM1106004 |
 |
| reference | seedM:cpd00272 |
| formula | C16H23N5O15P2 |
| global charge | -2 |
| mol weight | 587.328 |
| InChIKey | LQEBEXMHBLQMDB-VJDKUWHASA-L |
| InChI | InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/p-2/t4-,5+,7+,8+,9+,10+,11-,14+,15-/m0/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](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:4]1[C@@H:7]([OH:22])[C@@H:9]([OH:24])[C@H:11]([OH:26])[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:8]([OH:23])[C@@H:10]([OH:25])[C@H:14]([N:21]3[CH:3]=[N:18][C:6]4=[C:12]3[NH:19][C:16](=[NH:17])[N:20]=[C:13]4[OH:27])[O:34]2)[O:33]1 |
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