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

(1R,3R,4R)-3,4-dihydroxycyclohexa-1-carboxyl-[FkbB polyketide synthase]

Properties Image MNX_ID MNXM1562785 reference metacycM:CPLX-85422 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)[C@@H]1CC[C@@H](O)[C@H](O)C1)C([*])=O MNX internals InChI (mnx) InChI=1/C23H42N3O11PS/c1-14(27)16(24-4)12-36-38(34,35)37-13-23(2,3)20(31)21(32)26-8-7-19(30)25-9-10-39-22(33)15-5-6-17(28)18(29)11-15/h15-18,20,24,28-29,31H,5-13H2,1-4H3,(H,25,30)(H,26,32)(H,34,35)/t15-,16+,17-,18-,20+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:21]([CH3:2])([CH2:12][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:11][CH:14]([C:10](=[NH:25])[PH2:38])[CH2:22][SH:39])[CH:18]([C:19]([NH:24][CH2:6][CH2:5][C:17]([CH2:23][CH2:7][CH2:8][O:37][C:20]([C@@H:13]1[CH2:3][13CH2:4][CH:15]([NH2:26])[CH:16]([OH:27])[CH2:9]1)=[O:31])=[O:28])=[O:30])[OH:29]

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:CPLX-85422 metacycM:CPLX-85422	(1R,3R,4R)-3,4-dihydroxycyclohexa-1-carboxyl-[FkbB polyketide synthase] (1R,3R,4R)-3,4-dihydroxycyclohexa-1-carboxyl-[FkbB PKS]