[CorJ polyketide synthase] intermediate I

Properties Image MNX_ID MNXM1562804 reference metacycM:CorJ-Intermediate-I formula C20H32N4O11PS*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=C/NC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C22H39N4O11PS/c1-15(27)16(23-4)13-36-38(33,34)37-14-22(2,3)19(30)20(31)25-10-8-17(28)24-11-12-39-18(29)7-6-9-26-21(32)35-5/h6,9,16,19,23,30H,7-8,10-14H2,1-5H3,(H,24,28)(H,25,31)(H,26,32)(H,33,34)/b9-6+/t16-,19-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:16]([CH2:13][O:36][P:38]([OH:33])(=[O:34])[O:37][CH2:14][C:22]([CH3:2])([CH3:3])[C@H:19]([C:20](=[N:25][CH2:10][CH2:8][C:17](=[N:24][CH2:11][CH2:12][S:39][C:18]([CH2:7]/[CH:6]=[CH:9]/[N:26]=[C:21](/[OH:32])[O:35][CH3:5])=[O:29])[OH:28])[OH:31])[OH:30])[NH:23][13CH3:4])=[O:27]

Parent-child relations graph

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