(4S)-3,5,9-trihydroxy-4-methylundecanoyl-[SpnC polyketide synthase]

Properties Image MNX_ID MNXM1562613 reference metacycM:3-5-9-Trihydroxy-4-methylundecanoyl-SpnC formula C26H47N3O12PS*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)CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C28H54N3O12PS/c1-7-20(33)9-8-10-22(34)18(2)23(35)15-25(37)45-14-13-30-24(36)11-12-31-27(39)26(38)28(4,5)17-43-44(40,41)42-16-21(29-6)19(3)32/h18,20-23,26,29,33-35,38H,7-17H2,1-6H3,(H,30,36)(H,31,39)(H,40,41)/t18-,20?,21-,22?,23?,26-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:20]([CH2:9][CH2:8][CH2:10][CH:22]([C@H:18]([CH3:2])[CH:23]([CH2:15][C:25](=[O:37])[S:45][CH2:14][CH2:13][N:30]=[C:24]([CH2:11][CH2:12][N:31]=[C:27]([C@@H:26]([C:28]([CH3:4])([CH3:5])[CH2:17][O:43][P:44]([OH:40])(=[O:41])[O:42][CH2:16][C@@H:21]([C:19]([13CH3:3])=[O:32])[NH:29][13CH3:6])[OH:38])[OH:39])[OH:36])[OH:35])[OH:34])[OH:33]

Parent-child relations graph

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