curacin intermediate-[CurK polyketide synthase]

Properties Image MNX_ID MNXM1562685 reference metacycM:Acyl-CurK formula C33H50N4O9PS2*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)CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C35H57N4O9PS2/c1-24(12-10-8-7-9-11-13-27-22-51-34(39-27)28-20-25(28)2)14-15-31(42)50-19-18-37-30(41)16-17-38-33(44)32(43)35(4,5)23-48-49(45,46)47-21-29(36-6)26(3)40/h8,10-13,25,27-29,32,36,43H,7,9,14-23H2,1-6H3,(H,37,41)(H,38,44)(H,45,46)/b10-8+,13-11-,24-12+/t25-,27+,28+,29-,32-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:24](=[CH:12]\[CH:10]=[CH:8]\[CH2:7][CH2:9]/[CH:11]=[CH:13]\[C@@H:27]1[CH2:22][S:51][C:34]([C@@H:28]2[CH2:20][C@@H:25]2[CH3:2])=[N:39]1)[CH2:14][CH2:15][C:31](=[O:42])[S:50][CH2:19][CH2:18][N:37]=[C:30]([CH2:16][CH2:17][N:38]=[C:33]([C@@H:32]([C:35]([CH3:4])([CH3:5])[CH2:23][O:48][P:49]([OH:45])(=[O:46])[O:47][CH2:21][C@@H:29]([C:26]([13CH3:3])=[O:40])[NH:36][13CH3:6])[OH:43])[OH:44])[OH:41]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0