[CorL polyketide synthase] intermediate VI

Properties Image MNX_ID MNXM1562820 reference metacycM:CorL-Intermediate-VI formula C29H44N3O11PS*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(/CCC/C(C)=C/C/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C31H52N3O11PS/c1-7-8-9-11-22(2)12-10-13-24(18-27(37)38)19-28(39)47-17-16-33-26(36)14-15-34-30(41)29(40)31(4,5)21-45-46(42,43)44-20-25(32-6)23(3)35/h7-8,11,19,25,29,32,40H,9-10,12-18,20-21H2,1-6H3,(H,33,36)(H,34,41)(H,37,38)(H,42,43)/b8-7+,22-11+,24-19-/t25-,29-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9]/[CH:11]=[C:22](\[CH3:2])[CH2:12][CH2:10][CH2:13]/[C:24]([CH2:18][C:27](=[O:37])[OH:38])=[CH:19]/[C:28](=[O:39])[S:47][CH2:17][CH2:16][N:33]=[C:26]([CH2:14][CH2:15][N:34]=[C:30]([C@@H:29]([C:31]([CH3:4])([CH3:5])[CH2:21][O:45][P:46]([OH:42])(=[O:43])[O:44][CH2:20][C@@H:25]([C:23]([13CH3:3])=[O:35])[NH:32][13CH3:6])[OH:40])[OH:41])[OH:36]

Parent-child relations graph

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