[CorJ polyketide synthase] intermediate III

Properties Image MNX_ID MNXM1562806 reference metacycM:CorJ-Intermediate-III formula C25H40N4O12PS*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)CC/C=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C27H47N4O12PS/c1-18(9-7-8-11-31-26(38)41-6)21(33)15-23(35)45-14-13-29-22(34)10-12-30-25(37)24(36)27(3,4)17-43-44(39,40)42-16-20(28-5)19(2)32/h8,11,18,20,24,28,36H,7,9-10,12-17H2,1-6H3,(H,29,34)(H,30,37)(H,31,38)(H,39,40)/b11-8+/t18?,20-,24-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH:18]([CH2:9][CH2:7]/[CH:8]=[CH:11]/[N:31]=[C:26](/[OH:38])[O:41][CH3:6])[C:21]([CH2:15][C:23](=[O:35])[S:45][CH2:14][CH2:13][N:29]=[C:22]([CH2:10][CH2:12][N:30]=[C:25]([C@@H:24]([C:27]([CH3:3])([CH3:4])[CH2:17][O:43][P:44]([OH:39])(=[O:40])[O:42][CH2:16][C@@H:20]([C:19]([13CH3:2])=[O:32])[NH:28][13CH3:5])[OH:36])[OH:37])[OH:34])=[O:33]

Parent-child relations graph

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