| Properties | Image |
|---|
| MNX_ID | MNXM22342 |
 |
| reference | chebi:22102 |
| formula | C15H25N3O16P2 |
| global charge | 0 |
| mol weight | 565.318 |
| InChIKey | CYKLRRKFBPBYEI-VKMSGHKJSA-N |
| InChI | InChI=1S/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14?/m1/s1 |
| SMILES | N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][N:18]([C@H:13]2[C@H:12]([OH:24])[C@H:10]([OH:22])[C@@H:6]([CH2:4][O:30][P:35]([OH:26])(=[O:27])[O:34][P:36]([OH:28])(=[O:29])[O:33][CH:14]3[C@H:8]([NH2:16])[C@@H:11]([OH:23])[C@H:9]([OH:21])[C@@H:5]([CH2:3][OH:19])[O:32]3)[O:31]2)[C:15](=[O:25])[N:17]=[C:7]1[OH:20] |
|