(1R,2S)-2-methylcyclopropane-1-carboxyl-[ACPI domain within CurA polyketide synthase]

Properties Image MNX_ID MNXM1562604 reference metacycM:2-Methylcyclopropane-1-carboxyl-CurA-ACPI-Domain formula C19H31N3O9PS*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@@H]1C[C@@H]1C)C([*])=O MNX internals InChI (mnx) InChI=1/C21H38N3O9PS/c1-13-10-15(13)20(29)35-9-8-23-17(26)6-7-24-19(28)18(27)21(3,4)12-33-34(30,31)32-11-16(22-5)14(2)25/h13,15-16,18,22,27H,6-12H2,1-5H3,(H,23,26)(H,24,28)(H,30,31)/t13-,15+,16-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@H:13]1[CH2:10][C@H:15]1[C:20](=[O:29])[S:35][CH2:9][CH2:8][N:23]=[C:17]([CH2:6][CH2:7][N:24]=[C:19]([C@@H:18]([C:21]([CH3:3])([CH3:4])[CH2:12][O:33][P:34]([OH:30])(=[O:31])[O:32][CH2:11][C@@H:16]([C:14]([13CH3:2])=[O:25])[NH:22][13CH3:5])[OH:27])[OH:28])[OH:26]

Parent-child relations graph

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