| Properties | Image |
|---|
| MNX_ID | MNXM6204 |
 |
| reference | chebi:81011 |
| formula | C15H25N3O14P2 |
| global charge | 0 |
| mol weight | 533.32 |
| InChIKey | JHEDABDMLBOYRG-FQTMVLHBSA-N |
| InChI | InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9+,11+,12+,13+,14+/m0/s1 |
| SMILES | C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9+,11+,12+,13+,14+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]1[C@H:7]([OH:19])[CH2:4][C@@H:8]([OH:20])[C@@H:14]([O:31][P:34]([OH:26])(=[O:27])[O:32][P:33]([OH:24])(=[O:25])[O:28][CH2:5][C@@H:9]2[C@@H:11]([OH:21])[C@@H:12]([OH:22])[C@H:13]([N:18]3[CH:3]=[CH:2][C:10](=[NH:16])[N:17]=[C:15]3[OH:23])[O:30]2)[O:29]1 |
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