capsular polysaccharide (Bacillus cereus 14579)

Properties Image MNX_ID MNXM1134010 reference metacycM:Bacillus-Cereus-HF-PS-Polysaccharide formula C27H42N3O18*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]OC[C@H]1O[C@H](O[C@H](CCC(=O)N[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OC[C@H]3O[C@@H](O[*])[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)O[C@@H]2C)C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C29H49N3O18/c1-10-17(32-16(35)7-6-13(26(42)43)48-29-25(41)24(40)21(37)14(50-29)8-44-4)22(38)18(30-11(2)33)28(47-10)46-9-15-20(36)23(39)19(31-12(3)34)27(45-5)49-15/h10,13-15,17-25,27-29,36-41H,6-9H2,1-5H3,(H,30,33)(H,31,34)(H,32,35)(H,42,43)/t10-,13-,14-,15-,17+,18-,19-,20-,21+,22+,23-,24+,25-,27-,28+,29+/m1/s1/i4+1,5+1 SMILES (mnx) [CH3:1][C@@H:10]1[C@H:17]([N:32]=[C:16]([CH2:7][CH2:6][C@H:13]([C:26](=[O:42])[OH:43])[O:48][C@@H:29]2[C@H:25]([OH:41])[C@@H:24]([OH:40])[C@@H:21]([OH:37])[C@@H:14]([CH2:8][O:44][13CH3:4])[O:50]2)[OH:35])[C@H:22]([OH:38])[C@@H:18]([N:30]=[C:11]([CH3:2])[OH:33])[C@@H:28]([O:46][CH2:9][C@@H:15]2[C@@H:20]([OH:36])[C@H:23]([OH:39])[C@@H:19]([N:31]=[C:12]([CH3:3])[OH:34])[C@H:27]([O:45][13CH3:5])[O:49]2)[O:47]1

Parent-child relations graph

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