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a tetramethylated mycocerosyl-[mycocerosic acid synthase]

Properties Image MNX_ID MNXM166830 reference metacycM:Tetramethylated-mycocerosyl-MAS formula C39H72N3O9PS*3 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCC[C@@H](C)C[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/C42H82N3O9PS/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-32(2)27-33(3)28-34(4)29-35(5)41(50)56-26-25-44-38(47)23-24-45-40(49)39(48)42(7,8)31-54-55(51,52)53-30-37(43-9)36(6)46/h32-35,37,39,43,48H,10-31H2,1-9H3,(H,44,47)(H,45,49)(H,51,52)/t32-,33-,34-,35-,37+,39+/m1/s1/i1+1,6+1,9+1 SMILES (mnx) [13CH2:1]([CH2:8][13CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:30]([CH3:2])[CH2:24][C@H:31]([CH3:3])[CH2:25][C@@H:32]([CH3:4])[CH2:26][C@@H:33]([CH3:5])[C:38](=[O:47])[O:53][CH2:23][CH2:22][CH2:41][C:35]([CH2:20][CH2:21][CH2:42][C:37]([C@H:36]([C:39]([13CH3:6])([CH3:7])[CH2:29][O:51][O:52]([OH:48])(=[O:49])[O:50][CH2:28][C@@H:34]([C:27](=[NH:43])[OH:54])[CH2:40][PH2:55])[NH2:45])=[O:46])=[NH:44])[SH:56]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Tetramethylated-mycocerosyl-MAS metacycM:Tetramethylated-mycocerosyl-MAS	a tetramethylated mycocerosyl-[mycocerosic acid synthase]