| Properties | Image |
|---|
| MNX_ID | MNXM6472 |
 |
| reference | keggC:C05326 |
| formula | C19H21N4O11P*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]NC(=O)[C@H](CC1=CC=C(OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)C=C1)NC([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C21H27N4O11P/c1-11(26)23-14(19(30)22-2)9-12-3-5-13(6-4-12)36-37(32,33)34-10-15-17(28)18(29)20(35-15)25-8-7-16(27)24-21(25)31/h3-8,14-15,17-18,20,28-29H,9-10H2,1-2H3,(H,22,30)(H,23,26)(H,32,33)(H,24,27,31)/t14-,15+,17+,18+,20+/m0/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][C:11](=[N:23][C@@H:14]([CH2:9][C:12]1=[CH:4][CH:6]=[C:13]([O:36][P:37]([OH:32])(=[O:33])[O:34][CH2:10][C@@H:15]2[C@@H:17]([OH:28])[C@@H:18]([OH:29])[C@H:20]([N:25]3[CH:8]=[CH:7][C:16]([OH:27])=[N:24][C:21]3=[O:31])[O:35]2)[CH:5]=[CH:3]1)[C:19](=[N:22][13CH3:2])[OH:30])[OH:26] |
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