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

(3E,5S,7R,8R)-5,7,8-trihydroxy-3-(2-methoxy-2-oxoethylidene)nonanoyl-[BryA polyketide synthase]

Properties Image MNX_ID MNXM743798 reference metacycM:Branched-Nonanoyl-BryA-PKS formula C26H43N3O14PS*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/C(=O)OC)C[C@H](O)C[C@@H](O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C28H50N3O14PS/c1-17(32)21(29-5)15-44-46(41,42)45-16-28(3,4)26(39)27(40)31-8-7-23(36)30-9-10-47-25(38)13-19(12-24(37)43-6)11-20(34)14-22(35)18(2)33/h12,18,20-22,26,29,33-35,39H,7-11,13-16H2,1-6H3,(H,30,36)(H,31,40)(H,41,42)/b19-12+/t18-,20+,21+,22-,26+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C@H:16]([C@@H:20]([CH2:12][C@H:19]([CH2:9]/[C:17](=[CH:10]/[C:22](=[O:35])[O:41][CH3:4])[CH2:11][C:23](=[O:36])[O:45][CH2:8][CH2:7][CH2:28][C:21]([13CH2:5][CH2:6][NH:29][C:25]([C@@H:24]([C:26]([CH3:2])([CH3:3])[CH2:15][O:43][O:44]([OH:39])(=[O:40])[O:42][CH2:14][C@@H:18]([C:13](=[NH:30])[PH2:46])[CH2:27][SH:47])[OH:37])=[O:38])=[O:34])[OH:32])[OH:33])[NH2:31]

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:Branched-Nonanoyl-BryA-PKS metacycM:Branched-Nonanoyl-BryA-PKS	(3E,5S,7R,8R)-5,7,8-trihydroxy-3-(2-methoxy-2-oxoethylidene)nonanoyl-[BryA polyketide synthase]