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

3-oxopentanoyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562635 reference metacycM:3-oxo-pentanoyl-TcsA-PKS formula C19H31N3O10PS*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(=O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C21H38N3O10PS/c1-6-15(26)11-18(28)36-10-9-23-17(27)7-8-24-20(30)19(29)21(3,4)13-34-35(31,32)33-12-16(22-5)14(2)25/h16,19,22,29H,6-13H2,1-5H3,(H,23,27)(H,24,30)(H,31,32)/t16-,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][C:14]([CH2:9][C:16](=[O:26])[O:34][CH2:8][CH2:7][CH2:21][C:15]([13CH2:5][CH2:6][NH:22][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][CH:13]([C:10](=[NH:23])[PH2:35])[CH2:20][SH:36])[OH:27])=[O:28])=[O:25])=[NH:24]

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:3-oxo-pentanoyl-TcsA-PKS metacycM:3-oxo-pentanoyl-TcsA-PKS	3-oxopentanoyl-[TcsA polyketide synthase]