| Properties | Image |
|---|
| MNX_ID | MNXM10900 |
 |
| reference | metacycM:CPD-10137 |
| formula | C16H27N4O15P2 |
| global charge | -1 |
| mol weight | 577.353 |
| InChIKey | CIGMWJSHHWGAQO-PWQKZPJYSA-M |
| InChI | InChI=1S/C16H28N4O15P2/c1-18-9-12(24)10(22)6(4-21)33-15(9)34-37(29,30)35-36(27,28)31-5-7-11(23)13(25)14(32-7)20-3-2-8(17)19-16(20)26/h2-3,6-7,9-15,18,21-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H2,17,19,26)/p-1/t6-,7+,9-,10-,11+,12-,13+,14+,15+/m0/s1 |
| SMILES | C[NH2+][C@@H]1[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)O[C@@H](CO)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N4O15P2/c1-18-9-12(24)10(22)6(4-21)33-15(9)34-37(29,30)35-36(27,28)31-5-7-11(23)13(25)14(32-7)20-3-2-8(17)19-16(20)26/h2-3,6-7,9-15,18,21-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H2,17,19,26)/t6-,7+,9-,10-,11+,12-,13+,14+,15+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][NH:18][C@H:9]1[C@H:12]([OH:24])[C@@H:10]([OH:22])[C@H:6]([CH2:4][OH:21])[O:33][C@@H:15]1[O:34][P:37]([OH:29])(=[O:30])[O:35][P:36]([OH:27])(=[O:28])[O:31][CH2:5][C@@H:7]1[C@@H:11]([OH:23])[C@@H:13]([OH:25])[C@H:14]([N:20]2[CH:3]=[CH:2][C:8](=[NH:17])[N:19]=[C:16]2[OH:26])[O:32]1 |
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