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

Properties Image MNX_ID MNXM725916 reference metacycM:3-hydroxypimeloyl-ACP-methyl-esters formula C22H37N3O12PS*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)CCCC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C24H44N3O12PS/c1-16(28)18(25-4)14-38-40(35,36)39-15-24(2,3)22(33)23(34)27-10-9-19(30)26-11-12-41-21(32)13-17(29)7-6-8-20(31)37-5/h17-18,22,25,29,33H,6-15H2,1-5H3,(H,26,30)(H,27,34)(H,35,36)/t17-,18+,22+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:16]([C@H:18]([CH2:14][O:38][P:40]([OH:35])(=[O:36])[O:39][CH2:15][C:24]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:27][CH2:10][CH2:9][C:19](=[N:26][CH2:11][CH2:12][S:41][C:21]([CH2:13][C@@H:17]([CH2:7][CH2:6][CH2:8][C:20](=[O:31])[O:37][CH3:5])[OH:29])=[O:32])[OH:30])[OH:34])[OH:33])[NH:25][13CH3:4])=[O:28]

Parent-child relations graph

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