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

[CorK polyketide synthase] intermediate V

Properties Image MNX_ID MNXM1562810 reference metacycM:CorK-Intermediate-V formula C24H38N3O12PS*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)(CC/C=C/C)CC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C26H46N3O12PS/c1-6-7-8-10-26(37,14-21(32)33)15-22(34)43-13-12-28-20(31)9-11-29-24(36)23(35)25(3,4)17-41-42(38,39)40-16-19(27-5)18(2)30/h6-7,19,23,27,35,37H,8-17H2,1-5H3,(H,28,31)(H,29,36)(H,32,33)(H,38,39)/b7-6+/t19-,23-,26?/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1]/[CH:4]=[13CH:5]\[CH2:6][CH2:8][C:24]([CH2:12][C:19]([OH:30])=[O:31])([CH2:13][C:20](=[O:32])[O:41][CH2:11][CH2:10][CH2:26][C:18]([CH2:7][CH2:9][NH:27][C:22]([C@H:21]([C:23]([13CH3:2])([CH3:3])[CH2:16][O:39][O:40]([OH:36])(=[O:37])[O:38][CH2:15][C@@H:17]([C:14](=[NH:28])[PH2:42])[CH2:25][SH:43])[OH:33])=[O:34])=[NH:29])[OH:35]

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:CorK-Intermediate-V metacycM:CorK-Intermediate-V	[CorK polyketide synthase] intermediate V (6E)-3-(carboxymethyl)-3-hydroxyoct-6-enoyl-[CorK PKS]