a (3R)-3-hydroxyglutaryl-[acp] methyl ester

Properties Image MNX_ID MNXM741742 reference metacycM:3-Hydroxyglutaryl-ACP-methyl-ester formula C20H33N3O12PS*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)CC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C22H40N3O12PS/c1-14(26)16(23-4)12-36-38(33,34)37-13-22(2,3)20(31)21(32)25-7-6-17(28)24-8-9-39-19(30)11-15(27)10-18(29)35-5/h15-16,20,23,27,31H,6-13H2,1-5H3,(H,24,28)(H,25,32)(H,33,34)/t15-,16+,20+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:14]([C@H:16]([CH2:12][O:36][P:38]([OH:33])(=[O:34])[O:37][CH2:13][C:22]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:25][CH2:7][CH2:6][C:17](=[N:24][CH2:8][CH2:9][S:39][C:19]([CH2:11][C@@H:15]([CH2:10][C:18](=[O:29])[O:35][CH3:5])[OH:27])=[O:30])[OH:28])[OH:32])[OH:31])[NH:23][13CH3:4])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0