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

a 2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743985 reference metacycM:PedI-intermediate-5 formula C24H39N3O11PS*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@@]1(O)CC(=C)[C@@H](C)[C@@H](C)O1)C([*])=O MNX internals InChI (mnx) InChI=1/C26H46N3O11PS/c1-16-12-26(35,40-19(4)17(16)2)13-22(32)42-11-10-28-21(31)8-9-29-24(34)23(33)25(5,6)15-39-41(36,37)38-14-20(27-7)18(3)30/h17,19-20,23,27,33,35H,1,8-15H2,2-7H3,(H,28,31)(H,29,34)(H,36,37)/t17-,19-,20+,23+,26-/m1/s1/i3+1,7+1 SMILES (mnx) [CH2:1]=[C:15]1[CH2:10][C@:24]([CH2:11][C:20](=[O:30])[O:40][CH2:9][CH2:8][CH2:26][C:19]([CH2:6][13CH2:7][NH:27][C:22]([C@H:21]([C:23]([CH3:4])([CH3:5])[CH2:14][O:37][O:39]([OH:34])(=[O:35])[O:36][CH2:13][C@@H:18]([C:12](=[NH:28])[PH2:41])[CH2:25][SH:42])[OH:31])=[O:32])=[NH:29])([OH:33])[O:38][C@H:17]([13CH3:3])[C@@H:16]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:PedI-intermediate-5 metacycM:PedI-intermediate-5	a 2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl-[PedI polyketide synthase]