myristoyl-D-asparaginyl-butan-2-aminyl-malonyl-[ClbC polyketide synthase]

Properties Image MNX_ID MNXM1134026 reference metacycM:C14-Asn-Butan-2-aminyl-Malonyl-ClbC-PKS formula C39H68N6O13PS*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)CC(=O)CC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C41H75N6O13PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-36(52)47-32(26-34(42)50)39(55)46-29(2)19-20-31(49)25-37(53)62-24-23-44-35(51)21-22-45-40(56)38(54)41(4,5)28-60-61(57,58)59-27-33(43-6)30(3)48/h29,32-33,38,43,54H,7-28H2,1-6H3,(H2,42,50)(H,44,51)(H,45,56)(H,46,55)(H,47,52)(H,57,58)/t29-,32+,33-,38-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:36](=[N:47][C@H:32]([CH2:26][C:34](=[NH:42])[OH:50])[C:39](=[N:46][C@@H:29]([CH3:2])[CH2:19][CH2:20][C:31]([CH2:25][C:37](=[O:53])[S:62][CH2:24][CH2:23][N:44]=[C:35]([CH2:21][CH2:22][N:45]=[C:40]([C@@H:38]([C:41]([CH3:4])([CH3:5])[CH2:28][O:60][P:61]([OH:57])(=[O:58])[O:59][CH2:27][C@@H:33]([C:30]([13CH3:3])=[O:48])[NH:43][13CH3:6])[OH:54])[OH:56])[OH:51])=[O:49])[OH:55])[OH:52]

Parent-child relations graph

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