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

orsellinoyl-[pks]

Properties Image MNX_ID MNXM1563194 reference metacycM:orsellinoyl-PKS formula C22H31N3O11PS*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)c1c(C)cc(O)cc1O)C([*])=O MNX internals InChI (mnx) InChI=1/C24H38N3O11PS/c1-14-10-16(29)11-18(30)20(14)23(34)40-9-8-26-19(31)6-7-27-22(33)21(32)24(3,4)13-38-39(35,36)37-12-17(25-5)15(2)28/h10-11,17,21,25,29-30,32H,6-9,12-13H2,1-5H3,(H,26,31)(H,27,33)(H,35,36)/t17-,21-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][c:13]1[cH:8][c:15]([NH2:27])[cH:9][c:16]([OH:28])[c:18]1[C:21](=[O:32])[O:38][CH2:7][CH2:6][CH2:24][C:17]([CH2:4][13CH2:5][NH:25][C:20]([C@H:19]([C:22]([13CH3:2])([CH3:3])[CH2:12][O:36][O:37]([OH:33])(=[O:34])[O:35][CH2:11][C@@H:14]([C:10](=[NH:26])[PH2:39])[CH2:23][SH:40])[OH:30])=[O:31])=[O:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:orsellinoyl-PKS metacycM:orsellinoyl-PKS	orsellinoyl-[pks] an orsellinyl-[polyketide synthase]