| Properties | Image |
|---|
| MNX_ID | MNXM114495 |
 |
| reference | metacycM:CPD-14786 |
| formula | C15H23N3O16P2 |
| global charge | -2 |
| mol weight | 563.302 |
| InChIKey | NYIULHRSJADUMD-HWEKWTFHSA-L |
| InChI | InChI=1S/C15H25N3O16P2/c16-8-1-2-18(14(24)17-8)13-11(22)9(20)6(32-13)3-30-35(26,27)34-36(28,29)31-4-7-10(21)12(23)15(25,5-19)33-7/h1-2,6-7,9-13,19-23,25H,3-5H2,(H,26,27)(H,28,29)(H2,16,17,24)/p-2/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1 |
| SMILES | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O16P2/c16-8-1-2-18(14(24)17-8)13-11(22)9(20)6(32-13)3-30-35(26,27)34-36(28,29)31-4-7-10(21)12(23)15(25,5-19)33-7/h1-2,6-7,9-13,19-23,25H,3-5H2,(H,26,27)(H,28,29)(H2,16,17,24)/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][N:18]([C@H:13]2[C@H:11]([OH:22])[C@H:9]([OH:20])[C@@H:6]([CH2:3][O:30][P:35]([OH:26])(=[O:27])[O:34][P:36]([OH:28])(=[O:29])[O:31][CH2:4][C@@H:7]3[C@@H:10]([OH:21])[C@H:12]([OH:23])[C@:15]([CH2:5][OH:19])([OH:25])[O:33]3)[O:32]2)[C:14]([OH:24])=[N:17][C:8]1=[NH:16] |
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