(8E,10E)-2,4,8,10-tetramethyl-11-(4-nitrophenyl)-3,5-dioxoundeca-8,10-dienoyl-[aureothin polyketide synthase]

Properties Image MNX_ID MNXM743840 reference metacycM:CPD-21799 formula C35H48N4O13PS*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(C)C(=O)C(C)C(=O)CC/C(C)=C/C(C)=C/C1=CC=C([N+](=O)[O-])C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C37H55N4O13PS/c1-23(19-24(2)20-28-10-12-29(13-11-28)41(49)50)9-14-31(43)25(3)33(45)26(4)36(48)56-18-17-39-32(44)15-16-40-35(47)34(46)37(6,7)22-54-55(51,52)53-21-30(38-8)27(5)42/h10-13,19-20,25-26,30,34,38,46H,9,14-18,21-22H2,1-8H3,(H,39,44)(H,40,47)(H,51,52)/b23-19+,24-20+/t25?,26?,30-,34-/m0/s1/i5+1,8+1 SMILES (mnx) [CH3:1]/[C:23]([CH2:9][CH2:14][C:31]([CH:25]([CH3:3])[C:33]([CH:26]([CH3:4])[C:36](=[O:48])[S:56][CH2:18][CH2:17][N:39]=[C:32]([CH2:15][CH2:16][N:40]=[C:35]([C@@H:34]([C:37]([CH3:6])([CH3:7])[CH2:22][O:54][P:55]([OH:51])(=[O:52])[O:53][CH2:21][C@@H:30]([C:27]([13CH3:5])=[O:42])[NH:38][13CH3:8])[OH:46])[OH:47])[OH:44])=[O:45])=[O:43])=[CH:19]\[C:24]([CH3:2])=[CH:20]\[C:28]1=[CH:11][CH:13]=[C:29]([N+:41]([O-:49])=[O:50])[CH:12]=[CH:10]1

Parent-child relations graph

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