a 7-(4,5-dichloro-1H-pyrrol-2-yl)-3,5-dihydroxy-7-oxoheptanoyl-[PltL prolyl-carrier protein]

Properties Image MNX_ID MNXM1134709 reference metacycM:Pyr28-Pre-Pyrrolomycin formula C25H36Cl2N4O12PS*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(O)CC(O)CC(=O)C1=CC(Cl)=C(Cl)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C27H43Cl2N4O12PS/c1-15(34)20(30-4)13-44-46(42,43)45-14-27(2,3)24(40)26(41)32-6-5-22(38)31-7-8-47-23(39)11-17(36)9-16(35)10-21(37)19-12-18(28)25(29)33-19/h12,16-17,20,24,30,33,35-36,40H,5-11,13-14H2,1-4H3,(H,31,38)(H,32,41)(H,42,43)/t16?,17?,20-,24-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:20]([CH2:13][O:44][P:46]([OH:42])(=[O:43])[O:45][CH2:14][C:27]([CH3:2])([CH3:3])[C@H:24]([C:26](=[N:32][CH2:6][CH2:5][C:22](=[N:31][CH2:7][CH2:8][S:47][C:23]([CH2:11][CH:17]([CH2:9][CH:16]([CH2:10][C:21]([C:19]1=[CH:12][C:18]([Cl:28])=[C:25]([Cl:29])[NH:33]1)=[O:37])[OH:35])[OH:36])=[O:39])[OH:38])[OH:41])[OH:40])[NH:30][13CH3:4])=[O:34]

Parent-child relations graph

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