| Properties | Image |
|---|
| MNX_ID | MNXM1100508 |
 |
| reference | metacycM:CPD-15407 |
| formula | C16H24N2O15P2 |
| global charge | -2 |
| mol weight | 546.315 |
| InChIKey | NPFKVELMLMVECN-XDLUZWQFSA-L |
| InChI | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)11(21)13(31-15)7(2)19/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7?,8-,9+,10+,11+,12+,13-,15-/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3O[C@@H](C(C)O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)11(21)13(31-15)7(2)19/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7?,8-,9+,10+,11+,12+,13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:6]1=[CH:4][N:18]([C@H:10]2[CH2:3][C@H:8]([OH:20])[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:12]([OH:22])[C@@H:11]([OH:21])[C@H:13]([CH:7]([CH3:2])[OH:19])[O:31]3)[O:30]2)[C:16](=[O:24])[N:17]=[C:14]1[OH:23] |
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