| Properties | Image |
|---|
| MNX_ID | MNXM41254 |
 |
| reference | chebi:62171 |
| formula | C16H29N2O14P |
| global charge | 0 |
| mol weight | 504.382 |
| InChIKey | BNAATENPQZWFRM-NLQGBTQESA-N |
| InChI | InChI=1S/C16H29N2O14P/c1-5(20)17-9-13(24)12(23)8(30-15(9)26)4-29-33(27,28)32-16-10(18-6(2)21)14(25)11(22)7(3-19)31-16/h7-16,19,22-26H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,27,28)/t7-,8-,9+,10+,11-,12-,13-,14-,15+,16-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](OP(=O)(O)OC[C@H]2O[C@H](O)[C@@H](NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H29N2O14P/c1-5(20)17-9-13(24)12(23)8(30-15(9)26)4-29-33(27,28)32-16-10(18-6(2)21)14(25)11(22)7(3-19)31-16/h7-16,19,22-26H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,27,28)/t7-,8-,9+,10+,11-,12-,13-,14-,15+,16-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:17][C@H:9]1[C@@H:13]([OH:24])[C@H:12]([OH:23])[C@@H:8]([CH2:4][O:29][P:33]([OH:27])(=[O:28])[O:32][C@@H:16]2[C@@H:10]([N:18]=[C:6]([CH3:2])[OH:21])[C@@H:14]([OH:25])[C@H:11]([OH:22])[C@@H:7]([CH2:3][OH:19])[O:31]2)[O:30][C@@H:15]1[OH:26])[OH:20] |
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