| Properties | Image |
|---|
| MNX_ID | MNXM733432 |
 |
| reference | biggM:tdec2eACP |
| formula | C21H37N2O8PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C22H41N2O8PS/c1-5-6-7-8-9-10-11-12-19(26)34-16-15-23-18(25)13-14-24-21(28)20(27)22(2,3)17-32-33(29,30)31-4/h11-12,20,27H,5-10,13-17H2,1-4H3,(H,23,25)(H,24,28)(H,29,30)/b12-11?/t20?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][C:19](=[O:26])[S:34][CH2:16][CH2:15][N:23]=[C:18]([CH2:13][CH2:14][N:24]=[C:21]([CH:20]([C:22]([CH3:2])([CH3:3])[CH2:17][O:32][P:33]([OH:29])(=[O:30])[O:31][13CH3:4])[OH:27])[OH:28])[OH:25] |
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