a mycocerosyl-[mycocerosic acid synthase]

Properties Image MNX_ID MNXM164467 reference metacycM:mycocerosyl-MAS formula C38H69N3O9PS*4 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCC[C@@H]([*])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+1,2+1,6+1,9+1 SMILES (mnx) [13CH3:1][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C@@H:32]([13CH3:2])[CH2:27][C@@H:33]([CH3:3])[CH2:28][C@@H:34]([CH3:4])[CH2:29][C@@H:35]([CH3:5])[C:41](=[O:50])[S:56][CH2:26][CH2:25][N:44]=[C:38]([CH2:23][CH2:24][N:45]=[C:40]([C@@H:39]([C:42]([CH3:7])([CH3:8])[CH2:31][O:54][P:55]([OH:51])(=[O:52])[O:53][CH2:30][C@@H:37]([C:36]([13CH3:6])=[O:46])[NH:43][13CH3:9])[OH:48])[OH:49])[OH:47]

Parent-child relations graph

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