**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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:12]([CH2:8][C:15](=[O:25])[O:33][CH2:7][CH2:6][CH2:20][C:14]([CH2:4][13CH2:5][NH:21][C:17]([C@H:16]([C:18]([13CH3:2])([CH3:3])[CH2:11][O:31][O:32]([OH:28])(=[O:29])[O:30][CH2:10][C@@H:13]([C:9](=[NH:22])[PH2:34])[CH2:19][SH:35])[OH:26])=[O:27])=[O:24])=[NH:23]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Acetoacetyl-CurA-ACPI-Domain metacycM:Acetoacetyl-CurA-ACPI-Domain	acetoacetyl-[ACPI domain within CurA polyketide synthase]