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

[CorK polyketide synthase] intermediate II

Properties Image MNX_ID MNXM1562807 reference metacycM:CorK-Intermediate-II formula C18H29N3O9PS*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/C)C([*])=O MNX internals InChI (mnx) InChI=1/C20H36N3O9PS/c1-6-7-17(26)34-11-10-22-16(25)8-9-23-19(28)18(27)20(3,4)13-32-33(29,30)31-12-15(21-5)14(2)24/h6-7,15,18,21,27H,8-13H2,1-5H3,(H,22,25)(H,23,28)(H,29,30)/b7-6+/t15-,18-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:4]=[13CH:5]/[C:15](=[O:24])[O:32][CH2:9][CH2:8][CH2:20][C:14]([CH2:6][CH2:7][NH:21][C:17]([C@H:16]([C:18]([13CH3:2])([CH3:3])[CH2:12][O:30][O:31]([OH:27])(=[O:28])[O:29][CH2:11][C@@H:13]([C:10](=[NH:22])[PH2:33])[CH2:19][SH:34])[OH:25])=[O:26])=[NH:23]

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:CorK-Intermediate-II metacycM:CorK-Intermediate-II	[CorK polyketide synthase] intermediate II butenoyl-[Cork PKS]