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

[CorL polyketide synthase] intermediate V

Properties Image MNX_ID MNXM1562819 reference metacycM:CorL-Intermediate-V formula C29H46N3O12PS*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)CC(O)(CCC/C(C)=C/C/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C31H54N3O12PS/c1-7-8-9-11-22(2)12-10-14-31(42,18-26(37)38)19-27(39)48-17-16-33-25(36)13-15-34-29(41)28(40)30(4,5)21-46-47(43,44)45-20-24(32-6)23(3)35/h7-8,11,24,28,32,40,42H,9-10,12-21H2,1-6H3,(H,33,36)(H,34,41)(H,37,38)(H,43,44)/b8-7+,22-11+/t24-,28-,31?/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][CH2:12][C:29]([CH2:16][C:24]([OH:35])=[O:36])([CH2:17][C:25](=[O:37])[O:46][CH2:15][CH2:14][CH2:31][C:23]([CH2:11][CH2:13][NH:32][C:27]([C@H:26]([C:28]([13CH3:3])([CH3:4])[CH2:20][O:44][O:45]([OH:41])(=[O:42])[O:43][CH2:19][C@@H:22]([C:18](=[NH:33])[PH2:47])[CH2:30][SH:48])[OH:38])=[O:39])=[NH:34])[OH:40]

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-V metacycM:CorL-Intermediate-V	[CorL polyketide synthase] intermediate V (7E,10E)-3-(carboxymethyl)-3-hydroxy-7-methyldodeca-7,10-dienoyl-[CorL PKS]