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

[CorL polyketide synthase] intermediate IX

Properties Image MNX_ID MNXM1562818 reference metacycM:CorL-Intermediate-IX formula C33H51N3O10PS*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)/C(C)=C/C=C(\C)CCC/C(C)=C/C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C35H58N3O10PS/c1-9-10-11-13-25(2)14-12-15-26(3)16-17-27(4)30(40)22-32(42)50-21-20-37-31(41)18-19-38-34(44)33(43)35(6,7)24-48-49(45,46)47-23-29(36-8)28(5)39/h9-10,13,16-17,29,33,36,43H,11-12,14-15,18-24H2,1-8H3,(H,37,41)(H,38,44)(H,45,46)/b10-9+,25-13+,26-16+,27-17+/t29-,33-/m0/s1/i5+1,8+1 SMILES (mnx) [CH3:1]/[CH:7]=[13CH:8]\[CH2:9][CH:11]=[C:24]([CH3:2])[CH2:12][CH2:10][CH2:13]/[C:25]([CH3:3])=[CH:14]/[CH:15]=[C:26](\[CH3:4])[C:28]([CH2:20][C:30](=[O:40])[O:48][CH2:19][CH2:18][CH2:35][C:29]([CH2:16][CH2:17][NH:36][C:32]([C@H:31]([C:33]([13CH3:5])([CH3:6])[CH2:23][O:46][O:47]([OH:43])(=[O:44])[O:45][CH2:22][C@@H:27]([C:21](=[NH:37])[PH2:49])[CH2:34][SH:50])[OH:41])=[O:42])=[O:39])=[NH:38]

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-IX metacycM:CorL-Intermediate-IX	[CorL polyketide synthase] intermediate IX (4E,6E,11E,14E)-4,7,11-trimethyl-3-oxohexadeca-4,6,11,14-tetraenoyl-[CorL PKS]