a carboxyphthiodiolenone-[(phenol)carboxyphthiodiolenone synthase]

Properties Image MNX_ID MNXM166779 reference metacycM:Carboxyphthiodiolenone-PpsAE formula C39H68N3O12PS*3 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCC[C@@H](O)C[C@H](O)CCC/C=C(\C)C(=O)C(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/C42H78N3O12PS/c1-8-9-10-11-12-13-14-15-16-17-18-22-34(47)28-35(48)23-20-19-21-31(2)38(50)32(3)41(53)59-27-26-44-37(49)24-25-45-40(52)39(51)42(5,6)30-57-58(54,55)56-29-36(43-7)33(4)46/h21,32,34-36,39,43,47-48,51H,8-20,22-30H2,1-7H3,(H,44,49)(H,45,52)(H,54,55)/b31-21+/t32?,34-,35-,36+,39+/m1/s1/i1+1,4+1,7+1 SMILES (mnx) [13CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:22][C@H:34]([CH2:28][C@@H:35]([CH2:23][CH2:20][CH2:19]/[CH:21]=[C:31](\[CH3:2])[C:38]([CH:32]([CH3:3])[C:41](=[O:53])[S:59][CH2:27][CH2:26][N:44]=[C:37]([CH2:24][CH2:25][N:45]=[C:40]([C@@H:39]([C:42]([CH3:5])([CH3:6])[CH2:30][O:57][P:58]([OH:54])(=[O:55])[O:56][CH2:29][C@@H:36]([C:33]([13CH3:4])=[O:46])[NH:43][13CH3:7])[OH:51])[OH:52])[OH:49])=[O:50])[OH:48])[OH:47]

Parent-child relations graph

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