| Properties | Image |
|---|
| MNX_ID | MNXM105547 |
 |
| reference | chebi:65267 |
| formula | C30H53N3O9PS*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)C=CCCCCCCCCCCCCC)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C32H60N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(38)46-23-22-34-28(37)20-21-35-31(40)30(39)32(3,4)25-44-45(41,42)43-24-27(33-5)26(2)36/h18-19,27,30,33,39H,6-17,20-25H2,1-5H3,(H,34,37)(H,35,40)(H,41,42)/b19-18?/t27-,30-/m0/s1/i2+1,5+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]=[CH:19][C:29](=[O:38])[S:46][CH2:23][CH2:22][N:34]=[C:28]([CH2:20][CH2:21][N:35]=[C:31]([C@@H:30]([C:32]([CH3:3])([CH3:4])[CH2:25][O:44][P:45]([OH:41])(=[O:42])[O:43][CH2:24][C@@H:27]([C:26]([13CH3:2])=[O:36])[NH:33][13CH3:5])[OH:39])[OH:40])[OH:37] |
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