**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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:23](=[CH:10]/[CH:8]=[13CH:6]/[CH2:5][CH2:7]/[CH:9]=[CH:11]\[C@@H:26]1[CH2:21][PH:49][C:32]([C@H:27]2[CH2:18][C@H:24]2[CH3:2])=[N:37]1)[CH2:12][CH2:13][C:29](=[O:40])[O:48][CH2:17][CH2:16][CH2:35][C:28]([CH2:14][CH2:15][NH:36][C:31]([C@H:30]([C:33]([13CH3:3])([CH3:4])[CH2:22][O:46][O:47]([OH:43])(=[O:44])[O:45][CH2:20][C@@H:25]([C:19](=[NH:38])[SH:50])[CH2:34][SH:51])[OH:41])=[O:42])=[NH:39]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Acyl-CurK metacycM:Acyl-CurK	curacin intermediate-[CurK polyketide synthase]