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

(3S,4R,6E)-3-hydroxy-4-methyloct-6-enoyl-[polyketide synthase SimG]

Properties Image MNX_ID MNXM1563124 reference metacycM:SimG-Intermediate-I formula C23H39N3O10PS*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@H](O)[C@H](C)C/C=C/C)C([*])=O MNX internals InChI (mnx) InChI=1/C25H46N3O10PS/c1-7-8-9-17(2)20(30)14-22(32)40-13-12-27-21(31)10-11-28-24(34)23(33)25(4,5)16-38-39(35,36)37-15-19(26-6)18(3)29/h7-8,17,19-20,23,26,30,33H,9-16H2,1-6H3,(H,27,31)(H,28,34)(H,35,36)/b8-7+/t17-,19+,20+,23+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[CH:5]=[13CH:6]\[CH2:7][C@@H:16]([CH3:2])[C@@H:18]([CH2:12][C:20](=[O:30])[O:38][CH2:11][CH2:10][CH2:25][C:19]([CH2:8][CH2:9][NH:26][C:22]([C@H:21]([C:23]([13CH3:3])([CH3:4])[CH2:15][O:36][O:37]([OH:33])(=[O:34])[O:35][CH2:14][C@@H:17]([C:13](=[NH:27])[PH2:39])[CH2:24][SH:40])[OH:31])=[O:32])=[O:29])[NH2:28]

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:SimG-Intermediate-I metacycM:SimG-Intermediate-I	(3S,4R,6E)-3-hydroxy-4-methyloct-6-enoyl-[polyketide synthase SimG]