curacin intermediate-[CurG polyketide synthase]

Properties Image MNX_ID MNXM1562681 reference metacycM:Acyl-CurG formula C24H38N4O10PS2*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)[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C26H45N4O10PS2/c1-15-10-17(15)25-30-19(13-43-25)20(32)11-22(34)42-9-8-28-21(33)6-7-29-24(36)23(35)26(3,4)14-40-41(37,38)39-12-18(27-5)16(2)31/h15,17-20,23,27,32,35H,6-14H2,1-5H3,(H,28,33)(H,29,36)(H,37,38)/t15-,17+,18-,19-,20-,23-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@H:15]1[CH2:10][C@H:17]1[C:25]1=[N:30][C@H:19]([C@H:20]([CH2:11][C:22](=[O:34])[S:42][CH2:9][CH2:8][N:28]=[C:21]([CH2:6][CH2:7][N:29]=[C:24]([C@@H:23]([C:26]([CH3:3])([CH3:4])[CH2:14][O:40][P:41]([OH:37])(=[O:38])[O:39][CH2:12][C@@H:18]([C:16]([13CH3:2])=[O:31])[NH:27][13CH3:5])[OH:35])[OH:36])[OH:33])[OH:32])[CH2:13][S:43]1

Parent-child relations graph

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