| Properties | Image |
|---|
| MNX_ID | MNXM1089832 |
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| 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 |
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| SMILES (mnx) | [CH3:1][C:14]([13CH3:2])([CH2:9][CH2:25][C:26]([CH3:22])(=[CH2:23])[CH2:24][CH2:8][C@H:10]([C:7](=[CH2:18])[CH3:28])[CH2:15][CH3:29])[C@H:12]([C:13]([CH2:17][CH2:4][CH2:3][C:11]([CH2:16][13CH2:5][CH2:6][CH2:27][O:45]([O:44][O:43][O:42][O:41][O:40][O:39][O:38][NH:37][NH:36][NH:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][PH:47][SH:48])=[O:46])=[CH2:19])=[CH2:21])[CH3:20] |
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