| Properties | Image |
|---|
| MNX_ID | MNXM1089832 |
 |
| reference | metacycM:Stearoyl-PKS2 |
| formula | C32H59N3O9PS*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)CCCCCCCCCCCCCCCCC)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C34H66N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)48-25-24-36-30(39)22-23-37-33(42)32(41)34(3,4)27-46-47(43,44)45-26-29(35-5)28(2)38/h29,32,35,41H,6-27H2,1-5H3,(H,36,39)(H,37,42)(H,43,44)/t29-,32-/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][CH2:18][CH2:19][CH2:20][CH2:21][C:31](=[O:40])[S:48][CH2:25][CH2:24][N:36]=[C:30]([CH2:22][CH2:23][N:37]=[C:33]([C@@H:32]([C:34]([CH3:3])([CH3:4])[CH2:27][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:26][C@@H:29]([C:28]([13CH3:2])=[O:38])[NH:35][13CH3:5])[OH:41])[OH:42])[OH:39] |
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