| Properties | Image |
|---|
| MNX_ID | MNXM728600 |
 |
| reference | biggM:3opalmACP |
| formula | C27H49N2O9PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C28H53N2O9PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-23(31)21-25(33)41-20-19-29-24(32)17-18-30-27(35)26(34)28(2,3)22-39-40(36,37)38-4/h26,34H,5-22H2,1-4H3,(H,29,32)(H,30,35)(H,36,37)/t26?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:23]([CH2:21][C:25](=[O:33])[S:41][CH2:20][CH2:19][N:29]=[C:24]([CH2:17][CH2:18][N:30]=[C:27]([CH:26]([C:28]([CH3:2])([CH3:3])[CH2:22][O:39][P:40]([OH:36])(=[O:37])[O:38][13CH3:4])[OH:34])[OH:35])[OH:32])=[O:31] |
|