(2R,4E,6R,9S,10S,11S,12E)-13-[(3R,4R)-3,4-dihydroxycyclohexyl]-6-ethyl-9,11-dihydroxy-2,4,10,12-tetramethyl-7-oxotrideca-4,12-dienoyl-[FkbC polyketide synthase]

Properties Image MNX_ID MNXM1562878 reference metacycM:FkbC-Product formula C39H65N3O14PS*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@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H]1CC[C@@H](O)[C@H](O)C1)C([*])=O MNX internals InChI (mnx) InChI=1/C41H72N3O14PS/c1-10-30(34(48)21-33(47)27(5)37(51)25(3)19-29-11-12-32(46)35(49)20-29)18-24(2)17-26(4)40(54)60-16-15-43-36(50)13-14-44-39(53)38(52)41(7,8)23-58-59(55,56)57-22-31(42-9)28(6)45/h18-19,26-27,29-33,35,37-38,42,46-47,49,51-52H,10-17,20-23H2,1-9H3,(H,43,50)(H,44,53)(H,55,56)/b24-18+,25-19+/t26-,27-,29-,30+,31-,32+,33-,35+,37+,38-/m0/s1/i6+1,9+1 SMILES (mnx) [CH3:1][CH2:10][C@H:30](/[CH:18]=[C:24](\[CH3:2])[CH2:17][C@H:26]([CH3:4])[C:40](=[O:54])[S:60][CH2:16][CH2:15][N:43]=[C:36]([CH2:13][CH2:14][N:44]=[C:39]([C@@H:38]([C:41]([CH3:7])([CH3:8])[CH2:23][O:58][P:59]([OH:55])(=[O:56])[O:57][CH2:22][C@@H:31]([C:28]([13CH3:6])=[O:45])[NH:42][13CH3:9])[OH:52])[OH:53])[OH:50])[C:34]([CH2:21][C@@H:33]([C@H:27]([CH3:5])[C@@H:37](/[C:25]([CH3:3])=[CH:19]/[C@@H:29]1[CH2:11][CH2:12][C@@H:32]([OH:46])[C@H:35]([OH:49])[CH2:20]1)[OH:51])[OH:47])=[O:48]

Parent-child relations graph

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