| Properties | Image |
|---|
| MNX_ID | MNXM161415 |
 |
| reference | chebi:86408 |
| formula | C16H22N2O15P2 |
| global charge | -2 |
| mol weight | 544.299 |
| InChIKey | QCYCUBSBNNSHPN-UAELIUPZSA-L |
| InChI | InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-13(6)23)14-12(22)11(21)9(31-14)5-29-34(25,26)33-35(27,28)32-15-10(20)8(19)3-7(2)30-15/h4,7,9-12,14-15,20-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,9-,10-,11-,12-,14-,15-/m1/s1 |
| SMILES | CC1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C)CC(=O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-13(6)23)14-12(22)11(21)9(31-14)5-29-34(25,26)33-35(27,28)32-15-10(20)8(19)3-7(2)30-15/h4,7,9-12,14-15,20-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,9-,10-,11-,12-,14-,15-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:6]1=[CH:4][N:18]([C@H:14]2[C@H:12]([OH:22])[C@H:11]([OH:21])[C@@H:9]([CH2:5][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][C@@H:15]3[C@H:10]([OH:20])[C:8](=[O:19])[CH2:3][C@@H:7]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:24])[N:17]=[C:13]1[OH:23] |
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