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

4-chloro-3-methylbut-2-enoyl-[ACPI domain within CurA polyketide synthase]

Properties Image MNX_ID MNXM1562641 reference metacycM:4-Chloro-3-methylbut-2-enoyl-CurA-ACPI-Domain formula C19H30ClN3O9PS*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)CCl)C([*])=O MNX internals InChI (mnx) InChI=1/C21H37ClN3O9PS/c1-14(11-22)10-18(28)36-9-8-24-17(27)6-7-25-20(30)19(29)21(3,4)13-34-35(31,32)33-12-16(23-5)15(2)26/h10,16,19,23,29H,6-9,11-13H2,1-5H3,(H,24,27)(H,25,30)(H,31,32)/b14-10+/t16-,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[C:13](=[CH:8]\[C:16](=[O:26])[O:34][CH2:7][CH2:6][Cl:22][C:15]([CH2:4][13CH2:5][NH:23][C:18]([C@H:17]([C:19]([13CH3:2])([CH3:3])[CH2:12][O:32][O:33]([OH:29])(=[O:30])[O:31][CH2:11][C@@H:14]([C:10](=[NH:24])[PH2:35])[CH2:21][SH:36])[OH:27])=[O:28])=[NH:25])[CH2:9][CH3:20]

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:4-Chloro-3-methylbut-2-enoyl-CurA-ACPI-Domain metacycM:4-Chloro-3-methylbut-2-enoyl-CurA-ACPI-Domain	4-chloro-3-methylbut-2-enoyl-[ACPI domain within CurA polyketide synthase]