| Properties | Image |
|---|
| MNX_ID | MNXM1562808 |
 |
| reference | metacycM:CorK-Intermediate-III |
| formula | C20H33N3O9PS*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC/C=C/C)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C22H40N3O9PS/c1-6-7-8-9-19(28)36-13-12-24-18(27)10-11-25-21(30)20(29)22(3,4)15-34-35(31,32)33-14-17(23-5)16(2)26/h6-7,17,20,23,29H,8-15H2,1-5H3,(H,24,27)(H,25,30)(H,31,32)/b7-6+/t17-,20-/m0/s1/i2+1,5+1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:6]=[CH:7]/[CH2:8][CH2:9][C:19](=[O:28])[S:36][CH2:13][CH2:12][N:24]=[C:18]([CH2:10][CH2:11][N:25]=[C:21]([C@@H:20]([C:22]([CH3:3])([CH3:4])[CH2:15][O:34][P:35]([OH:31])(=[O:32])[O:33][CH2:14][C@@H:17]([C:16]([13CH3:2])=[O:26])[NH:23][13CH3:5])[OH:29])[OH:30])[OH:27] |
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