| Properties | Image |
|---|
| MNX_ID | MNXM6262 |
 |
| reference | chebi:29730 |
| formula | C18H31N3O13P2 |
| global charge | 0 |
| mol weight | 559.402 |
| InChIKey | XPIWJCQKSXFPJI-AUZYSZHDSA-N |
| InChI | InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+,16-/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@@H](N(C)C)[C@@H](O)[C@H](C)O3)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:7][N:21]([C@H:14]2[CH2:6][C@H:12]([OH:22])[C@@H:13]([CH2:8][O:30][P:35]([OH:26])(=[O:27])[O:34][P:36]([OH:28])(=[O:29])[O:33][C@@H:15]3[CH2:5][C@@H:11]([N:20]([CH3:3])[CH3:4])[C@@H:16]([OH:23])[C@H:10]([CH3:2])[O:31]3)[O:32]2)[C:18](=[O:25])[N:19]=[C:17]1[OH:24] |
|