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

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:26](=[CH:11]\[CH:9]=[CH:7]\[13CH2:6][CH2:8]/[CH:10]=[CH:12]/[C@@H:29]1[CH2:24][PH:59][C:37]([C@@H:32]2[CH2:19][C@@H:27]2[CH3:2])=[N:42]1)[CH2:13][CH2:14][CH:30]([CH2:20][CH:31]([CH2:21][C:34](=[O:45])[O:58][CH2:18][CH2:17][CH2:40][C:33]([CH2:15][CH2:16][NH:41][C:36]([C@H:35]([C:38]([13CH3:3])([CH3:4])[CH2:25][O:55][O:57]([OH:48])(=[O:49])[O:54][CH2:23][C@@H:28]([C:22](=[NH:43])[SH:61])[CH2:39][SH:62])[OH:46])=[O:47])=[NH:44])[O:56][S:60](=[O:50])([OH:51])=[O:52])[O:53][CH3:5]

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-SO4-CurM metacycM:Acyl-SO4-CurM	sulfated curacin intermediate-[CurM polyketide synthase]