| Properties | Image |
|---|
| MNX_ID | MNXM1100621 |
 |
| reference | chebi:232304 |
| formula | C19H24N3O19P2 |
| global charge | -3 |
| mol weight | 660.351 |
| InChIKey | DLGCWDASRUJGOT-FOSRMHLYSA-K |
| InChI | InChI=1S/C19H27N3O19P2/c23-8(17(30)31)1-2-10(24)20-7-5-37-18(15(29)12(7)26)40-43(35,36)41-42(33,34)38-6-9-13(27)14(28)16(39-9)22-4-3-11(25)21-19(22)32/h3-4,7,9,12-16,18,26-29H,1-2,5-6H2,(H,20,24)(H,30,31)(H,33,34)(H,35,36)(H,21,25,32)/p-3/t7-,9+,12-,13+,14+,15+,16+,18+/m0/s1 |
| SMILES | O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3OC[C@H](NC(=O)CCC(=O)C(=O)[O-])[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O19P2/c23-8(17(30)31)1-2-10(24)20-7-5-37-18(15(29)12(7)26)40-43(35,36)41-42(33,34)38-6-9-13(27)14(28)16(39-9)22-4-3-11(25)21-19(22)32/h3-4,7,9,12-16,18,26-29H,1-2,5-6H2,(H,20,24)(H,30,31)(H,33,34)(H,35,36)(H,21,25,32)/t7-,9+,12-,13+,14+,15+,16+,18+/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:10](=[N:20][C@H:7]1[CH2:5][O:37][C@H:18]([O:40][P:43]([OH:35])(=[O:36])[O:41][P:42]([OH:33])(=[O:34])[O:38][CH2:6][C@@H:9]2[C@@H:13]([OH:27])[C@@H:14]([OH:28])[C@H:16]([N:22]3[CH:4]=[CH:3][C:11]([OH:25])=[N:21][C:19]3=[O:32])[O:39]2)[C@H:15]([OH:29])[C@H:12]1[OH:26])[OH:24])[C:8]([C:17]([OH:30])=[O:31])=[O:23] |
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