| Properties | Image |
|---|
| MNX_ID | MNXM1100800 |
 |
| reference | keggC:C22270 |
| formula | C17H28N4O15P2 |
| global charge | 0 |
| mol weight | 590.372 |
| InChIKey | UXKJBHSGCBKJOM-NAGKVERXSA-N |
| InChI | InChI=1S/C17H28N4O15P2/c1-6-11(23)13(25)10(19-7(2)18)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(22)20-17(21)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H2,18,19)(H,28,29)(H,30,31)(H,20,22,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1 |
| SMILES | CC(=N)N[C@@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@@H](C)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N4O15P2/c1-6-11(23)13(25)10(19-7(2)18)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(22)20-17(21)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H2,18,19)(H,28,29)(H,30,31)(H,20,22,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]1[C@@H:11]([OH:23])[C@@H:13]([OH:25])[C@H:10]([NH:19][C:7]([CH3:2])=[NH:18])[C@@H:16]([O:35][P:38]([OH:30])(=[O:31])[O:36][P:37]([OH:28])(=[O:29])[O:32][CH2:5][C@@H:8]2[C@@H:12]([OH:24])[C@@H:14]([OH:26])[C@H:15]([N:21]3[CH:4]=[CH:3][C:9]([OH:22])=[N:20][C:17]3=[O:27])[O:34]2)[O:33]1 |
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