Escherichia coli serotype O:55/Salmonella enterica serotype O:50 O antigen repeat unit (Greenside)

Properties Image MNX_ID MNXM1106954 reference metacycM:CPD-18918 formula C34H58N2O24 global charge 0 mol weight 878.828 InChIKey NXVBEBMQKUAPPU-XCMWOKOZSA-N InChI InChI=1S/C34H58N2O24/c1-9-12(43)4-13(44)31(52-9)60-29-24(49)20(45)14(5-37)56-34(29)58-27-19(36-11(3)42)32(54-16(7-39)22(27)47)59-28-23(48)17(8-40)55-33(25(28)50)57-26-18(35-10(2)41)30(51)53-15(6-38)21(26)46/h9,12-34,37-40,43-51H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33+,34-/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)C[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C34H58N2O24/c1-9-12(43)4-13(44)31(52-9)60-29-24(49)20(45)14(5-37)56-34(29)58-27-19(36-11(3)42)32(54-16(7-39)22(27)47)59-28-23(48)17(8-40)55-33(25(28)50)57-26-18(35-10(2)41)30(51)53-15(6-38)21(26)46/h9,12-34,37-40,43-51H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33+,34-/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@@H:12]([OH:43])[CH2:4][C@H:13]([OH:44])[C@H:31]([O:60][C@@H:29]2[C@@H:24]([OH:49])[C@@H:20]([OH:45])[C@@H:14]([CH2:5][OH:37])[O:56][C@H:34]2[O:58][C@@H:27]2[C@@H:19]([N:36]=[C:11]([CH3:3])[OH:42])[C@H:32]([O:59][C@H:28]3[C@@H:23]([OH:48])[C@@H:17]([CH2:8][OH:40])[O:55][C@H:33]([O:57][C@@H:26]4[C@@H:18]([N:35]=[C:10]([CH3:2])[OH:41])[C@H:30]([OH:51])[O:53][C@H:15]([CH2:6][OH:38])[C@@H:21]4[OH:46])[C@@H:25]3[OH:50])[O:54][C@H:16]([CH2:7][OH:39])[C@H:22]2[OH:47])[O:52]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0