[CorK polyketide synthase] intermediate VII

Properties Image MNX_ID MNXM1562812 reference metacycM:CorK-Intermediate-VII formula C23H37N3O9PS*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)CC/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C25H44N3O9PS/c1-7-8-9-10-18(2)15-22(31)39-14-13-27-21(30)11-12-28-24(33)23(32)25(4,5)17-37-38(34,35)36-16-20(26-6)19(3)29/h7-8,15,20,23,26,32H,9-14,16-17H2,1-6H3,(H,27,30)(H,28,33)(H,34,35)/b8-7+,18-15+/t20-,23-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:7]=[CH:8]/[CH2:9][CH2:10]/[C:18]([CH3:2])=[CH:15]/[C:22](=[O:31])[S:39][CH2:14][CH2:13][N:27]=[C:21]([CH2:11][CH2:12][N:28]=[C:24]([C@@H:23]([C:25]([CH3:4])([CH3:5])[CH2:17][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:16][C@@H:20]([C:19]([13CH3:3])=[O:29])[NH:26][13CH3:6])[OH:32])[OH:33])[OH:30]

Parent-child relations graph

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