a (2E)-enoylpimeloyl-[acp] methyl ester

Properties Image MNX_ID MNXM727024 reference metacycM:Enoylpimeloyl-ACP-methyl-esters formula C22H35N3O11PS*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/CCCC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C24H42N3O11PS/c1-17(28)18(25-4)15-37-39(34,35)38-16-24(2,3)22(32)23(33)27-12-11-19(29)26-13-14-40-21(31)10-8-6-7-9-20(30)36-5/h8,10,18,22,25,32H,6-7,9,11-16H2,1-5H3,(H,26,29)(H,27,33)(H,34,35)/b10-8+/t18-,22-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:17]([C@H:18]([CH2:15][O:37][P:39]([OH:34])(=[O:35])[O:38][CH2:16][C:24]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:27][CH2:12][CH2:11][C:19](=[N:26][CH2:13][CH2:14][S:40][C:21](/[CH:10]=[CH:8]/[CH2:6][CH2:7][CH2:9][C:20](=[O:30])[O:36][CH3:5])=[O:31])[OH:29])[OH:33])[OH:32])[NH:25][13CH3:4])=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0