(2E)-pent-2-enoyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562607 reference metacycM:2E-Pent-2-enoyl-TcsA-PKS 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=C/CC)C([*])=O MNX internals InChI (mnx) InChI=1/C21H38N3O9PS/c1-6-7-8-18(27)35-12-11-23-17(26)9-10-24-20(29)19(28)21(3,4)14-33-34(30,31)32-13-16(22-5)15(2)25/h7-8,16,19,22,28H,6,9-14H2,1-5H3,(H,23,26)(H,24,29)(H,30,31)/b8-7+/t16-,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6]/[CH:7]=[CH:8]/[C:18](=[O:27])[S:35][CH2:12][CH2:11][N:23]=[C:17]([CH2:9][CH2:10][N:24]=[C:20]([C@@H:19]([C:21]([CH3:3])([CH3:4])[CH2:14][O:33][P:34]([OH:30])(=[O:31])[O:32][CH2:13][C@@H:16]([C:15]([13CH3:2])=[O:25])[NH:22][13CH3:5])[OH:28])[OH:29])[OH:26]

Parent-child relations graph

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