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

3-hydroxy-3-[(2S,3R)-3-hydroxybutan-2-yl]pentanedioyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743982 reference metacycM:PedI-intermediate-2 formula C23H38N3O13PS*2 global charge -2 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(=O)[O-])[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C25H46N3O13PS/c1-15(16(2)29)25(37,11-20(32)33)12-21(34)43-10-9-27-19(31)7-8-28-23(36)22(35)24(4,5)14-41-42(38,39)40-13-18(26-6)17(3)30/h15-16,18,22,26,29,35,37H,7-14H2,1-6H3,(H,27,31)(H,28,36)(H,32,33)(H,38,39)/t15-,16+,18-,22-,25?/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:14]([C@H:15]([CH3:2])[NH2:28])[C:23]([CH2:9][C:18](=[O:30])[OH:31])([CH2:10][C:19](=[O:32])[O:41][CH2:8][CH2:7][CH2:25][C:17]([CH2:5][13CH2:6][NH:26][C:21]([C@H:20]([C:22]([13CH3:3])([CH3:4])[CH2:13][O:39][O:40]([OH:36])(=[O:37])[O:38][CH2:12][C@H:16]([C:11](=[NH:27])[PH2:42])[CH2:24][SH:43])[OH:33])=[O:34])=[O:29])[OH:35]

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-2 metacycM:PedI-intermediate-2	3-hydroxy-3-[(2S,3R)-3-hydroxybutan-2-yl]pentanedioyl-[PedI polyketide synthase]