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

[CorK polyketide synthase] intermediate III

Properties Image MNX_ID MNXM1562808 reference metacycM:CorK-Intermediate-III formula C20H33N3O9PS*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)CC/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C22H40N3O9PS/c1-6-7-8-9-19(28)36-13-12-24-18(27)10-11-25-21(30)20(29)22(3,4)15-34-35(31,32)33-14-17(23-5)16(2)26/h6-7,17,20,23,29H,8-15H2,1-5H3,(H,24,27)(H,25,30)(H,31,32)/b7-6+/t17-,20-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:4]=[13CH:5]\[CH2:6][CH2:7][C:17](=[O:26])[O:34][CH2:11][CH2:10][CH2:22][C:16]([CH2:8][CH2:9][NH:23][C:19]([C@H:18]([C:20]([13CH3:2])([CH3:3])[CH2:14][O:32][O:33]([OH:29])(=[O:30])[O:31][CH2:13][C@@H:15]([C:12](=[NH:24])[PH2:35])[CH2:21][SH:36])[OH:27])=[O:28])=[NH:25]

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-III metacycM:CorK-Intermediate-III	[CorK polyketide synthase] intermediate III (4E)-hex-4-enoyl-[CorK PKS]