| Properties | Image |
|---|
| MNX_ID | MNXM114657 |
 |
| reference | metacycM:CPD-14787 |
| formula | C15H25N3O16P2 |
| global charge | -2 |
| mol weight | 565.318 |
| InChIKey | WSJYSDVJOUCAAL-RAMZQALMSA-L |
| InChI | InChI=1S/C15H27N3O16P2/c16-9-1-2-18(15(26)17-9)14-13(25)12(24)8(33-14)5-32-36(29,30)34-35(27,28)31-4-7(21)11(23)10(22)6(20)3-19/h1-2,6-8,10-14,19-25H,3-5H2,(H,27,28)(H,29,30)(H2,16,17,26)/p-2/t6-,7-,8-,10-,11-,12-,13-,14-/m1/s1 |
| SMILES | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C15H27N3O16P2/c16-9-1-2-18(15(26)17-9)14-13(25)12(24)8(33-14)5-32-36(29,30)34-35(27,28)31-4-7(21)11(23)10(22)6(20)3-19/h1-2,6-8,10-14,19-25H,3-5H2,(H,27,28)(H,29,30)(H2,16,17,26)/t6-,7-,8-,10-,11-,12-,13-,14-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][N:18]([C@H:14]2[C@H:13]([OH:25])[C@H:12]([OH:24])[C@@H:8]([CH2:5][O:32][P:36]([OH:29])(=[O:30])[O:34][P:35]([OH:27])(=[O:28])[O:31][CH2:4][C@H:7]([C@H:11]([C@@H:10]([C@@H:6]([CH2:3][OH:19])[OH:20])[OH:22])[OH:23])[OH:21])[O:33]2)[C:15]([OH:26])=[N:17][C:9]1=[NH:16] |
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