a 1o-methyl-3-oxoundecanoyl-[acp]

Properties Image MNX_ID MNXM1133774 reference metacycM:10-Methyl-3-Oxoundecanoyl-ACPs formula C26H45N3O10PS*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)CC(=O)CCCCCCC(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C28H52N3O10PS/c1-20(2)11-9-7-8-10-12-22(33)17-25(35)43-16-15-30-24(34)13-14-31-27(37)26(36)28(4,5)19-41-42(38,39)40-18-23(29-6)21(3)32/h20,23,26,29,36H,7-19H2,1-6H3,(H,30,34)(H,31,37)(H,38,39)/t23-,26-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:11][CH2:9][CH2:7][CH2:8][CH2:10][CH2:12][C:22]([CH2:17][C:25](=[O:35])[S:43][CH2:16][CH2:15][N:30]=[C:24]([CH2:13][CH2:14][N:31]=[C:27]([C@@H:26]([C:28]([CH3:4])([CH3:5])[CH2:19][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:18][C@@H:23]([C:21]([13CH3:3])=[O:32])[NH:29][13CH3:6])[OH:36])[OH:37])[OH:34])=[O:33]

Parent-child relations graph

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