| Properties | Image |
|---|
| MNX_ID | MNXM50736 |
 |
| reference | seedM:cpd26098 |
| formula | C20H30N3O19P2 |
| global charge | -3 |
| mol weight | 678.41 |
| InChIKey | XWNXAZKOWITICB-MQTLHLSBSA-K |
| InChI | InChI=1S/C20H33N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h7,9-10,12-17,19,24,27-29H,3-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/p-3/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3CCC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H33N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h7,9-10,12-17,19,24,27-29H,3-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]([C:18](=[O:30])[OH:31])[O:38][C@@H:16]1[C@@H:12]([N:21]=[C:8]([CH3:2])[OH:25])[C@@H:19]([O:41][P:44]([OH:35])(=[O:36])[O:42][P:43]([OH:33])(=[O:34])[O:37][CH2:6][C@@H:10]2[C@@H:13]([OH:27])[C@@H:15]([OH:29])[C@H:17]([N:23]3[CH2:4][CH2:3][C:11]([OH:26])=[N:22][C:20]3=[O:32])[O:39]2)[O:40][C@H:9]([CH2:5][OH:24])[C@H:14]1[OH:28] |
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