| Properties | Image |
|---|
| MNX_ID | MNXM17421 |
 |
| reference | metacycM:CPD-11892 |
| formula | C16H21N2O15P2 |
| global charge | -3 |
| mol weight | 543.291 |
| InChIKey | PCPWBAPCDVKUNQ-GSARERDTSA-K |
| InChI | InChI=1S/C16H24N2O15P2/c1-7-5-18(15(23)17-13(7)20)11-3-9(19)10(31-11)6-29-34(25,26)33-35(27,28)32-12-4-16(24,14(21)22)8(2)30-12/h5,8-12,19,24H,3-4,6H2,1-2H3,(H,21,22)(H,25,26)(H,27,28)(H,17,20,23)/p-3/t8-,9-,10+,11+,12+,16+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@](O)(C(=O)[O-])[C@H](C)O3)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C16H24N2O15P2/c1-7-5-18(15(23)17-13(7)20)11-3-9(19)10(31-11)6-29-34(25,26)33-35(27,28)32-12-4-16(24,14(21)22)8(2)30-12/h5,8-12,19,24H,3-4,6H2,1-2H3,(H,21,22)(H,25,26)(H,27,28)(H,17,20,23)/t8-,9-,10+,11+,12+,16+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:5][N:18]([C@H:11]2[CH2:3][C@H:9]([OH:19])[C@@H:10]([CH2:6][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:12]3[CH2:4][C@@:16]([C:14](=[O:21])[OH:22])([OH:24])[C@H:8]([CH3:2])[O:30]3)[O:31]2)[C:15](=[O:23])[N:17]=[C:13]1[OH:20] |
|