[CorL polyketide synthase] intermediate IX

Properties Image MNX_ID MNXM1562818 reference metacycM:CorL-Intermediate-IX formula C33H51N3O10PS*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(C)=C/C=C(\C)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C35H58N3O10PS/c1-9-10-11-13-25(2)14-12-15-26(3)16-17-27(4)30(40)22-32(42)50-21-20-37-31(41)18-19-38-34(44)33(43)35(6,7)24-48-49(45,46)47-23-29(36-8)28(5)39/h9-10,13,16-17,29,33,36,43H,11-12,14-15,18-24H2,1-8H3,(H,37,41)(H,38,44)(H,45,46)/b10-9+,25-13+,26-16+,27-17+/t29-,33-/m0/s1/i5+1,8+1 SMILES (mnx) [CH3:1]/[CH:9]=[CH:10]/[CH2:11]/[CH:13]=[C:25](\[CH3:2])[CH2:14][CH2:12][CH2:15]/[C:26]([CH3:3])=[CH:16]/[CH:17]=[C:27](\[CH3:4])[C:30]([CH2:22][C:32](=[O:42])[S:50][CH2:21][CH2:20][N:37]=[C:31]([CH2:18][CH2:19][N:38]=[C:34]([C@@H:33]([C:35]([CH3:6])([CH3:7])[CH2:24][O:48][P:49]([OH:45])(=[O:46])[O:47][CH2:23][C@@H:29]([C:28]([13CH3:5])=[O:39])[NH:36][13CH3:8])[OH:43])[OH:44])[OH:41])=[O:40]

Parent-child relations graph

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