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

(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/c1ccc([N+](=O)[O-])cc1)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:22]([CH2:7][CH2:12][C:29]([CH:24]([CH3:3])[C:31]([CH:25]([CH3:4])[C:34](=[O:46])[O:54][CH2:16][CH2:15][CH2:37][C:30]([CH2:13][CH2:14][NH:38][C:33]([C@@H:32]([C:35]([13CH3:5])([CH3:6])[CH2:21][O:52][O:53](=[O-:49])([OH:50])[O:51][CH2:20][C@@H:27]([C:19](=[NH:40])[PH2:55])[CH2:36][SH:56])[OH:44])=[O:45])=[O:42])=[O:43])=[NH2+:41])=[CH:17]/[C:23]([CH3:2])=[CH:18]/[c:26]1[13cH:8][cH:10][c:28]([N:39]([OH:47])=[O:48])[cH:11][cH:9]1

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:CPD-21799 metacycM:CPD-21799	(8E,10E)-2,4,8,10-tetramethyl-11-(4-nitrophenyl)-3,5-dioxoundeca-8,10-dienoyl-[aureothin polyketide synthase]