C27-mycolipanoyl-[mycolipanoic acid synthase]

Properties Image MNX_ID MNXM164623 reference metacycM:C27-Mycolipanoyl-MSL3 formula C41H77N3O9PS*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)CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C43H84N3O9PS/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-34(2)30-35(3)31-36(4)42(51)57-29-28-45-39(48)26-27-46-41(50)40(49)43(6,7)33-55-56(52,53)54-32-38(44-8)37(5)47/h34-36,38,40,44,49H,9-33H2,1-8H3,(H,45,48)(H,46,50)(H,52,53)/t34-,35-,36-,38-,40-/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][C@H:34]([CH3:2])[CH2:30][C@H:35]([CH3:3])[CH2:31][C@H:36]([CH3:4])[C:42](=[O:51])[S:57][CH2:29][CH2:28][N:45]=[C:39]([CH2:26][CH2:27][N:46]=[C:41]([C@@H:40]([C:43]([CH3:6])([CH3:7])[CH2:33][O:55][P:56]([OH:52])(=[O:53])[O:54][CH2:32][C@@H:38]([C:37]([13CH3:5])=[O:47])[NH:44][13CH3:8])[OH:49])[OH:50])[OH:48]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0