| Properties | Image |
|---|
| MNX_ID | MNXM728588 |
 |
| reference | biggM:toct2eACP |
| formula | C19H33N2O8PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C20H37N2O8PS/c1-5-6-7-8-9-10-17(24)32-14-13-21-16(23)11-12-22-19(26)18(25)20(2,3)15-30-31(27,28)29-4/h9-10,18,25H,5-8,11-15H2,1-4H3,(H,21,23)(H,22,26)(H,27,28)/b10-9?/t18?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][C:17](=[O:24])[S:32][CH2:14][CH2:13][N:21]=[C:16]([CH2:11][CH2:12][N:22]=[C:19]([CH:18]([C:20]([CH3:2])([CH3:3])[CH2:15][O:30][P:31]([OH:27])(=[O:28])[O:29][13CH3:4])[OH:25])[OH:26])[OH:23] |
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