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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) [13CH2:1]([CH2:7][13CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C@@H:28]([CH3:2])[CH2:23][C@H:29]([CH3:3])[CH2:24][C@H:30]([CH3:4])[C:35](=[O:44])[O:50][CH2:22][CH2:21][CH2:38][C:32]([CH2:19][CH2:20][CH2:39][C:34]([C@H:33]([C:36]([13CH3:5])([CH3:6])[CH2:27][O:48][O:49]([OH:45])(=[O:46])[O:47][CH2:26][C@@H:31]([C:25](=[NH:40])[OH:51])[CH2:37][PH2:52])[NH2:42])=[O:43])=[NH:41])[SH:53]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Tri-methylated-mycocerosyl-MAS metacycM:Tri-methylated-mycocerosyl-MAS	a trimethylated mycocerosyl-[mycocerosic acid synthase]