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

(4S,5R)-5-hydroxy-4-methyl-3-oxohexanoyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743981 reference metacycM:PedI-intermediate-1 formula C21H35N3O11PS*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)[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C23H42N3O11PS/c1-14(15(2)27)18(29)11-20(31)39-10-9-25-19(30)7-8-26-22(33)21(32)23(4,5)13-37-38(34,35)36-12-17(24-6)16(3)28/h14-15,17,21,24,27,32H,7-13H2,1-6H3,(H,25,30)(H,26,33)(H,34,35)/t14-,15+,17-,21-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@H:13]([C@H:14]([CH3:2])[NH2:26])[C:16]([CH2:9][C:18](=[O:29])[O:37][CH2:8][CH2:7][CH2:23][C:17]([CH2:5][13CH2:6][NH:24][C:20]([C@H:19]([C:21]([13CH3:3])([CH3:4])[CH2:12][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:11][C@@H:15]([C:10](=[NH:25])[PH2:38])[CH2:22][SH:39])[OH:30])=[O:31])=[O:28])=[O:27]

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:PedI-intermediate-1 metacycM:PedI-intermediate-1	(4S,5R)-5-hydroxy-4-methyl-3-oxohexanoyl-[PedI polyketide synthase]