curacin intermediate-[CurI polyketide synthase]

Properties Image MNX_ID MNXM1562683 reference metacycM:Acyl-CurI formula C28H44N4O10PS2*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)C[C@H](O)CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C30H51N4O10PS2/c1-19-14-23(19)29-34-21(17-47-29)8-6-7-9-22(36)15-26(38)46-13-12-32-25(37)10-11-33-28(40)27(39)30(3,4)18-44-45(41,42)43-16-24(31-5)20(2)35/h6,8,19,21-24,27,31,36,39H,7,9-18H2,1-5H3,(H,32,37)(H,33,40)(H,41,42)/b8-6-/t19-,21+,22+,23+,24-,27-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@H:19]1[CH2:14][C@H:23]1[C:29]1=[N:34][C@H:21](/[CH:8]=[CH:6]\[CH2:7][CH2:9][C@H:22]([CH2:15][C:26](=[O:38])[S:46][CH2:13][CH2:12][N:32]=[C:25]([CH2:10][CH2:11][N:33]=[C:28]([C@@H:27]([C:30]([CH3:3])([CH3:4])[CH2:18][O:44][P:45]([OH:41])(=[O:42])[O:43][CH2:16][C@@H:24]([C:20]([13CH3:2])=[O:35])[NH:31][13CH3:5])[OH:39])[OH:40])[OH:37])[OH:36])[CH2:17][S:47]1

Parent-child relations graph

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