| Properties | Image |
|---|
| MNX_ID | MNXM3491 |
 |
| reference | biggM:3ooctdACP |
| formula | C29H53N2O9PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C30H57N2O9PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33)23-27(35)43-22-21-31-26(34)19-20-32-29(37)28(36)30(2,3)24-41-42(38,39)40-4/h28,36H,5-24H2,1-4H3,(H,31,34)(H,32,37)(H,38,39)/t28?/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][CH2:17][CH2:18][C:25]([CH2:23][C:27](=[O:35])[S:43][CH2:22][CH2:21][N:31]=[C:26]([CH2:19][CH2:20][N:32]=[C:29]([CH:28]([C:30]([CH3:2])([CH3:3])[CH2:24][O:41][P:42]([OH:38])(=[O:39])[O:40][13CH3:4])[OH:36])[OH:37])[OH:34])=[O:33] |
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