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

an L-alanyl-[ClbB polyketide synthase]

Properties Image MNX_ID MNXM1133965 reference metacycM:Ala-ClbB-PKS formula C17H31N4O9PS*2 global charge 0 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](C)[NH3+])C([*])=O MNX internals InChI (mnx) InChI=1/C19H37N4O9PS/c1-12(20)18(28)34-9-8-22-15(25)6-7-23-17(27)16(26)19(3,4)11-32-33(29,30)31-10-14(21-5)13(2)24/h12,14,16,21,26H,6-11,20H2,1-5H3,(H,22,25)(H,23,27)(H,29,30)/t12-,14-,16-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@@H:11]([C:16](=[O:26])[O:32][CH2:7][CH2:6][NH:20][C:13]([CH2:4][13CH2:5][NH:21][C:15]([C@H:14]([C:17]([13CH3:2])([CH3:3])[CH2:10][O:30][O:31]([OH:27])(=[O:28])[O:29][CH2:9][CH:12]([C:8](=[NH:22])[PH2:33])[CH2:19][SH:34])[OH:24])=[O:25])=[NH:23])[CH3:18]

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:Ala-ClbB-PKS metacycM:Ala-ClbB-PKS	an L-alanyl-[ClbB polyketide synthase]