C32-mycocerosyl-[mycocerosic acid synthase]

Properties Image MNX_ID MNXM167360 reference metacycM:C32-mycocerosyl-MAS formula C46H87N3O9PS*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)C[C@H](C)CCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C48H94N3O9PS/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-38(2)33-39(3)34-40(4)35-41(5)47(56)62-32-31-50-44(53)29-30-51-46(55)45(54)48(7,8)37-60-61(57,58)59-36-43(49-9)42(6)52/h38-41,43,45,49,54H,10-37H2,1-9H3,(H,50,53)(H,51,55)(H,57,58)/t38-,39-,40-,41-,43+,45+/m1/s1/i6+1,9+1 SMILES (mnx) [CH3:1][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][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C@@H:38]([CH3:2])[CH2:33][C@@H:39]([CH3:3])[CH2:34][C@@H:40]([CH3:4])[CH2:35][C@@H:41]([CH3:5])[C:47](=[O:56])[S:62][CH2:32][CH2:31][N:50]=[C:44]([CH2:29][CH2:30][N:51]=[C:46]([C@@H:45]([C:48]([CH3:7])([CH3:8])[CH2:37][O:60][P:61]([OH:57])(=[O:58])[O:59][CH2:36][C@@H:43]([C:42]([13CH3:6])=[O:52])[NH:49][13CH3:9])[OH:54])[OH:55])[OH:53]

Parent-child relations graph

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