(3S,4R,6E)-3-hydroxy-4-methyloct-6-enoyl-[polyketide synthase SimG]

Properties Image MNX_ID MNXM1563124 reference metacycM:SimG-Intermediate-I formula C23H39N3O10PS*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@H](O)[C@H](C)C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C25H46N3O10PS/c1-7-8-9-17(2)20(30)14-22(32)40-13-12-27-21(31)10-11-28-24(34)23(33)25(4,5)16-38-39(35,36)37-15-19(26-6)18(3)29/h7-8,17,19-20,23,26,30,33H,9-16H2,1-6H3,(H,27,31)(H,28,34)(H,35,36)/b8-7+/t17-,19+,20+,23+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9][C@@H:17]([CH3:2])[C@H:20]([CH2:14][C:22](=[O:32])[S:40][CH2:13][CH2:12][N:27]=[C:21]([CH2:10][CH2:11][N:28]=[C:24]([C@@H:23]([C:25]([CH3:4])([CH3:5])[CH2:16][O:38][P:39]([OH:35])(=[O:36])[O:37][CH2:15][C@@H:19]([C:18]([13CH3:3])=[O:29])[NH:26][13CH3:6])[OH:33])[OH:34])[OH:31])[OH:30]

Parent-child relations graph

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