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

a holo [BryC polyketide synthase]

Properties Image MNX_ID MNXM1089686 reference metacycM:BryC-PKS formula C14H25N3O8PS*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)NCCS)C([*])=O MNX internals InChI (mnx) InChI=1/C16H32N3O8PS/c1-11(20)12(17-4)9-26-28(24,25)27-10-16(2,3)14(22)15(23)19-6-5-13(21)18-7-8-29/h12,14,17,22,29H,5-10H2,1-4H3,(H,18,21)(H,19,23)(H,24,25)/t12-,14-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:14]([CH3:2])([CH2:9][O:25][O:26]([OH:22])(=[O:23])[O:24][CH2:8][C@@H:10]([C:7](=[NH:18])[PH2:28])[CH2:15][SH:29])[C@@H:12]([C:13]([NH:17][13CH2:4][CH2:3][C:11]([CH2:16][CH2:5][CH2:6][OH:27])=[NH:19])=[O:21])[OH:20]

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:BryC-PKS metacycM:BryC-PKS	a holo [BryC polyketide synthase]