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:18]1[CH2:14][C@H:21]1[C:27]1=[N:32][C@H:20](/[CH:8]=[CH:6]\[CH2:7][CH2:9][C:24](=[O:35])[S:43][CH2:13][CH2:12][N:30]=[C:23]([CH2:10][CH2:11][N:31]=[C:26]([C@@H:25]([C:28]([CH3:3])([CH3:4])[CH2:17][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:15][C@@H:22]([C:19]([13CH3:2])=[O:33])[NH:29][13CH3:5])[OH:36])[OH:37])[OH:34])[CH2:16][S:44]1

Parent-child relations graph

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