sulfated curacin intermediate-[CurM polyketide synthase]

Properties Image MNX_ID MNXM1562688 reference metacycM:Acyl-SO4-CurM formula C38H59N4O14PS3*2 global charge -2 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(CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC)OS(=O)(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C40H67N4O14PS3/c1-27(13-11-9-8-10-12-14-30-25-61-39(44-30)33-21-28(33)2)15-16-31(55-7)22-32(58-62(52,53)54)23-36(47)60-20-19-42-35(46)17-18-43-38(49)37(48)40(4,5)26-57-59(50,51)56-24-34(41-6)29(3)45/h9,11-14,28,30-34,37,41,48H,8,10,15-26H2,1-7H3,(H,42,46)(H,43,49)(H,50,51)(H,52,53,54)/b11-9+,14-12-,27-13+/t28-,30+,31?,32?,33+,34-,37-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:27](=[CH:13]\[CH:11]=[CH:9]\[CH2:8][CH2:10]/[CH:12]=[CH:14]\[C@@H:30]1[CH2:25][S:61][C:39]([C@@H:33]2[CH2:21][C@@H:28]2[CH3:2])=[N:44]1)[CH2:15][CH2:16][CH:31]([CH2:22][CH:32]([CH2:23][C:36](=[O:47])[S:60][CH2:20][CH2:19][N:42]=[C:35]([CH2:17][CH2:18][N:43]=[C:38]([C@@H:37]([C:40]([CH3:4])([CH3:5])[CH2:26][O:57][P:59]([OH:50])(=[O:51])[O:56][CH2:24][C@@H:34]([C:29]([13CH3:3])=[O:45])[NH:41][13CH3:6])[OH:48])[OH:49])[OH:46])[O:58][S:62]([OH:52])(=[O:53])=[O:54])[O:55][CH3:7]

Parent-child relations graph

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