a trimethylated mycocerosyl-[mycocerosic acid synthase]

Properties Image MNX_ID MNXM166832 reference metacycM:Tri-methylated-mycocerosyl-MAS formula C36H66N3O9PS*3 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OC[C@H](N[*])C([*])=O MNX internals InChI (mnx) InChI=1/C39H76N3O9PS/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-30(2)26-31(3)27-32(4)38(47)53-25-24-41-35(44)22-23-42-37(46)36(45)39(6,7)29-51-52(48,49)50-28-34(40-8)33(5)43/h30-32,34,36,40,45H,9-29H2,1-8H3,(H,41,44)(H,42,46)(H,48,49)/t30-,31-,32-,34+,36+/m1/s1/i1+1,5+1,8+1 SMILES (mnx) [13CH3:1][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:30]([CH3:2])[CH2:26][C@@H:31]([CH3:3])[CH2:27][C@@H:32]([CH3:4])[C:38](=[O:47])[S:53][CH2:25][CH2:24][N:41]=[C:35]([CH2:22][CH2:23][N:42]=[C:37]([C@@H:36]([C:39]([CH3:6])([CH3:7])[CH2:29][O:51][P:52]([OH:48])(=[O:49])[O:50][CH2:28][C@@H:34]([C:33]([13CH3:5])=[O:43])[NH:40][13CH3:8])[OH:45])[OH:46])[OH:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0