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

[CorK polyketide synthase] intermediate IV

Properties Image MNX_ID MNXM1562809 reference metacycM:CorK-Intermediate-IV formula C22H35N3O10PS*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(=O)CC/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C24H42N3O10PS/c1-6-7-8-9-18(29)14-21(31)39-13-12-26-20(30)10-11-27-23(33)22(32)24(3,4)16-37-38(34,35)36-15-19(25-5)17(2)28/h6-7,19,22,25,32H,8-16H2,1-5H3,(H,26,30)(H,27,33)(H,34,35)/b7-6+/t19-,22-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:4]=[13CH:5]\[CH2:6][CH2:7][C:17]([CH2:12][C:19](=[O:29])[O:37][CH2:11][CH2:10][CH2:24][C:18]([CH2:8][CH2:9][NH:25][C:21]([C@H:20]([C:22]([13CH3:2])([CH3:3])[CH2:15][O:35][O:36]([OH:32])(=[O:33])[O:34][CH2:14][CH:16]([C:13](=[NH:26])[PH2:38])[CH2:23][SH:39])[OH:30])=[O:31])=[O:28])=[NH:27]

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-IV metacycM:CorK-Intermediate-IV	[CorK polyketide synthase] intermediate IV (6E)-3-oxooct-6-enoyl-[CorK PKS]