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

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

Properties Image MNX_ID MNXM743984 reference metacycM:PedI-intermediate-4 formula C22H37N3O10PS*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(=C)[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C24H44N3O10PS/c1-15(16(2)17(3)28)12-21(31)39-11-10-26-20(30)8-9-27-23(33)22(32)24(5,6)14-37-38(34,35)36-13-19(25-7)18(4)29/h16-17,19,22,25,28,32H,1,8-14H2,2-7H3,(H,26,30)(H,27,33)(H,34,35)/t16-,17-,19+,22+/m1/s1/i4+1,7+1 SMILES (mnx) [CH2:1]=[C:14]([CH2:10][C:19](=[O:29])[O:37][CH2:9][CH2:8][CH2:24][C:18]([CH2:6][13CH2:7][NH:25][C:21]([C@H:20]([C:22]([13CH3:4])([CH3:5])[CH2:13][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:12][C@@H:17]([C:11](=[NH:26])[PH2:38])[CH2:23][SH:39])[OH:30])=[O:31])=[O:28])[C@H:15]([CH3:2])[C@H:16]([CH3:3])[NH2:27]

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