4-chloro-3-methylpent-2-enedioyl-[ACPI domain within CurA polyketide synthase]

Properties Image MNX_ID MNXM1562642 reference metacycM:4-Chloro-3-methylpent-2-enedioyl-CurA-ACPI-Domain formula C20H29ClN3O11PS*2 global charge -2 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(Cl)C(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C22H37ClN3O11PS/c1-13(18(23)21(32)33)10-17(29)39-9-8-25-16(28)6-7-26-20(31)19(30)22(3,4)12-37-38(34,35)36-11-15(24-5)14(2)27/h10,15,18-19,24,30H,6-9,11-12H2,1-5H3,(H,25,28)(H,26,31)(H,32,33)(H,34,35)/b13-10+/t15-,18?,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[C:13](=[CH:10]\[C:17](=[O:29])[S:39][CH2:9][CH2:8][N:25]=[C:16]([CH2:6][CH2:7][N:26]=[C:20]([C@@H:19]([C:22]([CH3:3])([CH3:4])[CH2:12][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:11][C@@H:15]([C:14]([13CH3:2])=[O:27])[NH:24][13CH3:5])[OH:30])[OH:31])[OH:28])[CH:18]([C:21](=[O:32])[OH:33])[Cl:23]

Parent-child relations graph

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