**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

curacin intermediate-[CurJ polyketide synthase]

Properties Image MNX_ID MNXM1562684 reference metacycM:Acyl-CurJ formula C31H46N4O9PS2*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(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C33H53N4O9PS2/c1-22(12-10-8-7-9-11-13-25-20-49-31(37-25)26-18-23(26)2)32(42)48-17-16-35-28(39)14-15-36-30(41)29(40)33(4,5)21-46-47(43,44)45-19-27(34-6)24(3)38/h8,10-13,23,25-27,29,34,40H,7,9,14-21H2,1-6H3,(H,35,39)(H,36,41)(H,43,44)/b10-8+,13-11-,22-12+/t23-,25+,26+,27-,29-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:21](=[CH:10]/[CH:8]=[13CH:6]/[CH2:5][CH2:7]/[CH:9]=[CH:11]\[C@@H:24]1[CH2:19][PH:47][C:29]([CH:25]2[CH2:16][C@H:22]2[CH3:2])=[N:35]1)[C:30](=[O:40])[O:46][CH2:15][CH2:14][CH2:33][C:26]([CH2:12][CH2:13][NH:34][C:28]([CH:27]([C:31]([13CH3:3])([CH3:4])[CH2:20][O:44][O:45]([OH:41])(=[O:42])[O:43][CH2:18][C@@H:23]([C:17](=[NH:36])[SH:48])[CH2:32][SH:49])[OH:38])=[O:39])=[NH:37]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:Acyl-CurJ metacycM:Acyl-CurJ	curacin intermediate-[CurJ polyketide synthase]