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

[CorL polyketide synthase] intermediate II

Properties Image MNX_ID MNXM1562815 reference metacycM:CorL-Intermediate-II formula C25H39N3O9PS*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(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C27H46N3O9PS/c1-7-8-9-11-20(2)12-10-13-24(33)41-17-16-29-23(32)14-15-30-26(35)25(34)27(4,5)19-39-40(36,37)38-18-22(28-6)21(3)31/h7-8,10-11,13,22,25,28,34H,9,12,14-19H2,1-6H3,(H,29,32)(H,30,35)(H,36,37)/b8-7+,13-10+,20-11+/t22-,25-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:5]=[13CH:6]\[CH2:7]/[CH:9]=[C:19](\[CH3:2])[CH2:10]/[CH:8]=[CH:11]\[C:22](=[O:31])[O:39][CH2:15][CH2:14][CH2:27][C:21]([CH2:12][CH2:13][NH:28][C:24]([C@H:23]([C:25]([13CH3:3])([CH3:4])[CH2:18][O:37][O:38]([OH:34])(=[O:35])[O:36][CH2:17][C@@H:20]([C:16](=[NH:29])[PH2:40])[CH2:26][SH:41])[OH:32])=[O:33])=[NH:30]

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-II metacycM:CorL-Intermediate-II	[CorL polyketide synthase] intermediate II (2E,5E,8E)-5-methyldeca-2,5,8-trienoyl-[CorL PKS]