[CorL polyketide synthase]-intermediate IV

Properties Image MNX_ID MNXM1562817 reference metacycM:CorL-Intermediate-IV formula C27H43N3O10PS*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)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C29H50N3O10PS/c1-7-8-9-11-21(2)12-10-13-23(34)18-26(36)44-17-16-31-25(35)14-15-32-28(38)27(37)29(4,5)20-42-43(39,40)41-19-24(30-6)22(3)33/h7-8,11,24,27,30,37H,9-10,12-20H2,1-6H3,(H,31,35)(H,32,38)(H,39,40)/b8-7+,21-11+/t24-,27-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9]/[CH:11]=[C:21](\[CH3:2])[CH2:12][CH2:10][CH2:13][C:23]([CH2:18][C:26](=[O:36])[S:44][CH2:17][CH2:16][N:31]=[C:25]([CH2:14][CH2:15][N:32]=[C:28]([C@@H:27]([C:29]([CH3:4])([CH3:5])[CH2:20][O:42][P:43]([OH:39])(=[O:40])[O:41][CH2:19][C@@H:24]([C:22]([13CH3:3])=[O:33])[NH:30][13CH3:6])[OH:37])[OH:38])[OH:35])=[O:34]

Parent-child relations graph

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