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

curacin intermediate-[CurM polyketide synthase]

Properties Image MNX_ID MNXM1562687 reference metacycM:Acyl-CurM formula C38H60N4O11PS2*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(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/C40H67N4O11PS2/c1-27(13-11-9-8-10-12-14-30-25-58-39(44-30)33-21-28(33)2)15-16-32(53-7)22-31(46)23-36(48)57-20-19-42-35(47)17-18-43-38(50)37(49)40(4,5)26-55-56(51,52)54-24-34(41-6)29(3)45/h9,11-14,28,30-34,37,41,46,49H,8,10,15-26H2,1-7H3,(H,42,47)(H,43,50)(H,51,52)/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:56][C:37]([C@H:32]2[CH2:19][C@H:27]2[CH3:2])=[N:42]1)[CH2:13][CH2:14][CH:31]([CH2:20][CH:30]([CH2:21][C:34](=[O:46])[O:55][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:53][O:54]([OH:49])(=[O:50])[O:52][CH2:23][C@@H:28]([C:22](=[NH:43])[SH:57])[CH2:39][SH:58])[OH:47])=[O:48])=[O:45])[NH2:44])[O:51][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-CurM metacycM:Acyl-CurM	curacin intermediate-[CurM polyketide synthase]