curacin intermediate-[CurL polyketide synthase]

Properties Image MNX_ID MNXM1562686 reference metacycM:Acyl-CurL formula C36H56N4O10PS2*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(CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C38H63N4O10PS2/c1-26(13-11-9-8-10-12-14-29-24-55-37(42-29)31-21-27(31)2)15-16-30(50-7)22-34(45)54-20-19-40-33(44)17-18-41-36(47)35(46)38(4,5)25-52-53(48,49)51-23-32(39-6)28(3)43/h9,11-14,27,29-32,35,39,46H,8,10,15-25H2,1-7H3,(H,40,44)(H,41,47)(H,48,49)/b11-9+,14-12-,26-13+/t27-,29+,30?,31+,32-,35-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:26](=[CH:13]\[CH:11]=[CH:9]\[CH2:8][CH2:10]/[CH:12]=[CH:14]\[C@@H:29]1[CH2:24][S:55][C:37]([C@@H:31]2[CH2:21][C@@H:27]2[CH3:2])=[N:42]1)[CH2:15][CH2:16][CH:30]([CH2:22][C:34](=[O:45])[S:54][CH2:20][CH2:19][N:40]=[C:33]([CH2:17][CH2:18][N:41]=[C:36]([C@@H:35]([C:38]([CH3:4])([CH3:5])[CH2:25][O:52][P:53]([OH:48])(=[O:49])[O:51][CH2:23][C@@H:32]([C:28]([13CH3:3])=[O:43])[NH:39][13CH3:6])[OH:46])[OH:47])[OH:44])[O:50][CH3:7]

Parent-child relations graph

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