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

[CorL polyketide synthase] intermediate VI

Properties Image MNX_ID MNXM1562820 reference metacycM:CorL-Intermediate-VI formula C29H44N3O11PS*2 global charge -2 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(/CCC/C(C)=C/C/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C31H52N3O11PS/c1-7-8-9-11-22(2)12-10-13-24(18-27(37)38)19-28(39)47-17-16-33-26(36)14-15-34-30(41)29(40)31(4,5)21-45-46(42,43)44-20-25(32-6)23(3)35/h7-8,11,19,25,29,32,40H,9-10,12-18,20-21H2,1-6H3,(H,33,36)(H,34,41)(H,37,38)(H,42,43)/b8-7+,22-11+,24-19-/t25-,29-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:5]=[13CH:6]\[CH2:7]/[CH:9]=[C:21](\[CH3:2])[CH2:10][CH2:8][CH2:11]/[C:22]([CH2:16][C:25]([OH:35])=[O:36])=[CH:17]\[C:26](=[O:37])[O:45][CH2:15][CH2:14][CH2:31][C:24]([CH2:12][CH2:13][NH:32][C:28]([C@@H:27]([C:29]([13CH3:3])([CH3:4])[CH2:20][O:43][O:44]([OH:40])(=[O:41])[O:42][CH2:19][CH:23]([C:18](=[NH:33])[PH2:46])[CH2:30][SH:47])[OH:38])=[O:39])=[NH:34]

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-VI metacycM:CorL-Intermediate-VI	[CorL polyketide synthase] intermediate VI (2Z,7E,10E)-3-(carboxymethylidene)-7-methyldodeca-7,10-dienoyl-[CorL PKS]