[CorJ polyketide synthase] intermediate II

Properties Image MNX_ID MNXM1562805 reference metacycM:CorJ-Intermediate-II formula C23H38N4O11PS*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)C(C)CC/C=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C25H45N4O11PS/c1-17(9-7-8-11-29-24(35)38-6)23(34)42-14-13-27-20(31)10-12-28-22(33)21(32)25(3,4)16-40-41(36,37)39-15-19(26-5)18(2)30/h8,11,17,19,21,26,32H,7,9-10,12-16H2,1-6H3,(H,27,31)(H,28,33)(H,29,35)(H,36,37)/b11-8+/t17?,19-,21-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH:17]([CH2:9][CH2:7]/[CH:8]=[CH:11]/[N:29]=[C:24](/[OH:35])[O:38][CH3:6])[C:23](=[O:34])[S:42][CH2:14][CH2:13][N:27]=[C:20]([CH2:10][CH2:12][N:28]=[C:22]([C@@H:21]([C:25]([CH3:3])([CH3:4])[CH2:16][O:40][P:41]([OH:36])(=[O:37])[O:39][CH2:15][C@@H:19]([C:18]([13CH3:2])=[O:30])[NH:26][13CH3:5])[OH:32])[OH:33])[OH:31]

Parent-child relations graph

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