C29-mycolipanoyl-[mycolipanoic acid synthase]

Properties Image MNX_ID MNXM167358 reference metacycM:C29-Mycolipanoyl-MSL3 formula C43H81N3O9PS*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)[C@@H](C)C[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C45H88N3O9PS/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36(2)32-37(3)33-38(4)44(53)59-31-30-47-41(50)28-29-48-43(52)42(51)45(6,7)35-57-58(54,55)56-34-40(46-8)39(5)49/h36-38,40,42,46,51H,9-35H2,1-8H3,(H,47,50)(H,48,52)(H,54,55)/t36-,37-,38-,40-,42-/m0/s1/i5+1,8+1 SMILES (mnx) [CH3:1][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][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C@H:36]([CH3:2])[CH2:32][C@H:37]([CH3:3])[CH2:33][C@H:38]([CH3:4])[C:44](=[O:53])[S:59][CH2:31][CH2:30][N:47]=[C:41]([CH2:28][CH2:29][N:48]=[C:43]([C@@H:42]([C:45]([CH3:6])([CH3:7])[CH2:35][O:57][P:58]([OH:54])(=[O:55])[O:56][CH2:34][C@@H:40]([C:39]([13CH3:5])=[O:49])[NH:46][13CH3:8])[OH:51])[OH:52])[OH:50]

Parent-child relations graph

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