acetoacetyl-[ACPI domain within CurA polyketide synthase]

Properties Image MNX_ID MNXM1562671 reference metacycM:Acetoacetyl-CurA-ACPI-Domain formula C18H29N3O10PS*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(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C20H36N3O10PS/c1-13(24)10-17(27)35-9-8-22-16(26)6-7-23-19(29)18(28)20(3,4)12-33-34(30,31)32-11-15(21-5)14(2)25/h15,18,21,28H,6-12H2,1-5H3,(H,22,26)(H,23,29)(H,30,31)/t15-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C:13]([CH2:10][C:17](=[O:27])[S:35][CH2:9][CH2:8][N:22]=[C:16]([CH2:6][CH2:7][N:23]=[C:19]([C@@H:18]([C:20]([CH3:3])([CH3:4])[CH2:12][O:33][P:34]([OH:30])(=[O:31])[O:32][CH2:11][C@@H:15]([C:14]([13CH3:2])=[O:25])[NH:21][13CH3:5])[OH:28])[OH:29])[OH:26])=[O:24]

Parent-child relations graph

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