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

[CorL polyketide synthase]-intermediate IV

Properties Image MNX_ID MNXM1562817 reference metacycM:CorL-Intermediate-IV formula C27H43N3O10PS*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)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C29H50N3O10PS/c1-7-8-9-11-21(2)12-10-13-23(34)18-26(36)44-17-16-31-25(35)14-15-32-28(38)27(37)29(4,5)20-42-43(39,40)41-19-24(30-6)22(3)33/h7-8,11,24,27,30,37H,9-10,12-20H2,1-6H3,(H,31,35)(H,32,38)(H,39,40)/b8-7+,21-11+/t24-,27-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:5]=[13CH:6]\[CH2:7]/[CH:9]=[C:20](\[CH3:2])[CH2:10][CH2:8][CH2:11][C:22]([CH2:16][C:24](=[O:34])[O:42][CH2:15][CH2:14][CH2:29][C:23]([CH2:12][CH2:13][NH:30][C:26]([C@H:25]([C:27]([13CH3:3])([CH3:4])[CH2:19][O:40][O:41]([OH:37])(=[O:38])[O:39][CH2:18][C@@H:21]([C:17](=[NH:31])[PH2:43])[CH2:28][SH:44])[OH:35])=[O:36])=[O:33])=[NH:32]

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:CorL-Intermediate-IV metacycM:CorL-Intermediate-IV	[CorL polyketide synthase]-intermediate IV (7E,10E)-7-methyl-3-oxododeca-7,10-dienoyl-[CorL PKS]