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

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