(2E)-3-[(2R,3R)-3-hydroxybutan-2-yl]pent-2-enedioyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743983 reference metacycM:PedI-intermediate-3 formula C23H36N3O12PS*2 global charge -2 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(\CC(=O)[O-])[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C25H44N3O12PS/c1-15(16(2)29)18(11-21(32)33)12-22(34)42-10-9-27-20(31)7-8-28-24(36)23(35)25(4,5)14-40-41(37,38)39-13-19(26-6)17(3)30/h12,15-16,19,23,26,29,35H,7-11,13-14H2,1-6H3,(H,27,31)(H,28,36)(H,32,33)(H,37,38)/b18-12+/t15-,16+,19-,23-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:15]([C@@H:16]([CH3:2])[OH:29])/[C:18]([CH2:11][C:21](=[O:32])[OH:33])=[CH:12]/[C:22](=[O:34])[S:42][CH2:10][CH2:9][N:27]=[C:20]([CH2:7][CH2:8][N:28]=[C:24]([C@@H:23]([C:25]([CH3:4])([CH3:5])[CH2:14][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:13][C@@H:19]([C:17]([13CH3:3])=[O:30])[NH:26][13CH3:6])[OH:35])[OH:36])[OH:31]

Parent-child relations graph

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