(2S)-3,7-dihydroxy-2-methylnonanoyl-[SpnC polyketide synthase]

Properties Image MNX_ID MNXM1562616 reference metacycM:3-7-Dihydroxy-2-methylnonanoyl-SpnC formula C24H43N3O11PS*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@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C26H50N3O11PS/c1-7-19(31)9-8-10-21(32)17(2)25(36)42-14-13-28-22(33)11-12-29-24(35)23(34)26(4,5)16-40-41(37,38)39-15-20(27-6)18(3)30/h17,19-21,23,27,31-32,34H,7-16H2,1-6H3,(H,28,33)(H,29,35)(H,37,38)/t17-,19?,20-,21?,23-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:19]([CH2:9][CH2:8][CH2:10][CH:21]([C@H:17]([CH3:2])[C:25](=[O:36])[S:42][CH2:14][CH2:13][N:28]=[C:22]([CH2:11][CH2:12][N:29]=[C:24]([C@@H:23]([C:26]([CH3:4])([CH3:5])[CH2:16][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:15][C@@H:20]([C:18]([13CH3:3])=[O:30])[NH:27][13CH3:6])[OH:34])[OH:35])[OH:33])[OH:32])[OH:31]

Parent-child relations graph

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