[CorK polyketide synthase] intermediate II

Properties Image MNX_ID MNXM1562807 reference metacycM:CorK-Intermediate-II formula C18H29N3O9PS*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)C([*])=O MNX internals InChI (mnx) InChI=1/C20H36N3O9PS/c1-6-7-17(26)34-11-10-22-16(25)8-9-23-19(28)18(27)20(3,4)13-32-33(29,30)31-12-15(21-5)14(2)24/h6-7,15,18,21,27H,8-13H2,1-5H3,(H,22,25)(H,23,28)(H,29,30)/b7-6+/t15-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:6]=[CH:7]/[C:17](=[O:26])[S:34][CH2:11][CH2:10][N:22]=[C:16]([CH2:8][CH2:9][N:23]=[C:19]([C@@H:18]([C:20]([CH3:3])([CH3:4])[CH2:13][O:32][P:33]([OH:29])(=[O:30])[O:31][CH2:12][C@@H:15]([C:14]([13CH3:2])=[O:24])[NH:21][13CH3:5])[OH:27])[OH:28])[OH:25]

Parent-child relations graph

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