(2S,3S,7R)-2-amino-3-amino-7-hydroxy-8-(2-iminoimidazolidin-4-yl)octanoyl-[GdnH polyketide synthase]

Properties Image MNX_ID MNXM163961 reference metacycM:Loaded-GdnH formula C25H48N8O10PS*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@@H]([NH3+])[C@@H]([NH3+])CCC[C@@H](O)CC1CNC(=N)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C27H53N8O10PS/c1-16(36)20(31-4)14-44-46(42,43)45-15-27(2,3)23(39)24(40)33-9-8-21(38)32-10-11-47-25(41)22(29)19(28)7-5-6-18(37)12-17-13-34-26(30)35-17/h17-20,22-23,31,37,39H,5-15,28-29H2,1-4H3,(H,32,38)(H,33,40)(H,42,43)(H3,30,34,35)/t17?,18-,19+,20+,22+,23+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:16]([C@H:20]([CH2:14][O:44][P:46]([OH:42])(=[O:43])[O:45][CH2:15][C:27]([CH3:2])([CH3:3])[C@H:23]([C:24](=[N:33][CH2:9][CH2:8][C:21](=[N:32][CH2:10][CH2:11][S:47][C:25]([C@H:22]([C@H:19]([CH2:7][CH2:5][CH2:6][C@H:18]([CH2:12][CH:17]1[CH2:13][NH:34][C:26](=[NH:30])[NH:35]1)[OH:37])[NH2:28])[NH2:29])=[O:41])[OH:38])[OH:40])[OH:39])[NH:31][13CH3:4])=[O:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0