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

curacin intermediate-[CurH polyketide synthase]

Properties Image MNX_ID MNXM1562682 reference metacycM:Acyl-CurH formula C26H40N4O9PS2*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/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C28H47N4O9PS2/c1-18-14-21(18)27-32-20(16-44-27)8-6-7-9-24(35)43-13-12-30-23(34)10-11-31-26(37)25(36)28(3,4)17-41-42(38,39)40-15-22(29-5)19(2)33/h6,8,18,20-22,25,29,36H,7,9-17H2,1-5H3,(H,30,34)(H,31,37)(H,38,39)/b8-6-/t18-,20+,21+,22-,25-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@H:17]1[CH2:12][C@H:20]1[C:25]1=[N:30][C@@H:19](/[CH:6]=[CH:4]\[13CH2:5][CH2:7][C:22](=[O:33])[O:41][CH2:11][CH2:10][CH2:28][C:21]([CH2:8][CH2:9][NH:29][C:24]([C@H:23]([C:26]([13CH3:2])([CH3:3])[CH2:16][O:39][O:40]([OH:36])(=[O:37])[O:38][CH2:14][C@H:18]([C:13](=[NH:31])[SH:43])[CH2:27][SH:44])[OH:34])=[O:35])=[NH:32])[CH2:15][PH:42]1

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-CurH metacycM:Acyl-CurH	curacin intermediate-[CurH polyketide synthase]