beta-D-GalpNAc4S-(1->4)-beta-D-GlcpA-(1->3)-beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Xylp

Properties Image MNX_ID MNXM3546 reference chebi:63868 formula C31H51NO29S global charge 0 mol weight 933.794 InChIKey ZNBOJJOEYJISSS-JSLCZPDWSA-N InChI InChI=1S/C31H51NO29S/c1-6(36)32-11-15(40)21(61-62(49,50)51)9(4-35)55-28(11)59-24-16(41)18(43)29(60-25(24)26(46)47)57-23-14(39)8(3-34)54-31(20(23)45)58-22-13(38)7(2-33)53-30(19(22)44)56-10-5-52-27(48)17(42)12(10)37/h7-25,27-31,33-35,37-45,48H,2-5H2,1H3,(H,32,36)(H,46,47)(H,49,50,51)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,27-,28+,29-,30+,31+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C31H51NO29S/c1-6(36)32-11-15(40)21(61-62(49,50)51)9(4-35)55-28(11)59-24-16(41)18(43)29(60-25(24)26(46)47)57-23-14(39)8(3-34)54-31(20(23)45)58-22-13(38)7(2-33)53-30(19(22)44)56-10-5-52-27(48)17(42)12(10)37/h7-25,27-31,33-35,37-45,48H,2-5H2,1H3,(H,32,36)(H,46,47)(H,49,50,51)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,27-,28+,29-,30+,31+/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:32][C@@H:11]1[C@@H:15]([OH:40])[C@@H:21]([O:61][S:62]([OH:49])(=[O:50])=[O:51])[C@@H:9]([CH2:4][OH:35])[O:55][C@H:28]1[O:59][C@H:24]1[C@H:16]([OH:41])[C@@H:18]([OH:43])[C@H:29]([O:57][C@H:23]2[C@@H:14]([OH:39])[C@@H:8]([CH2:3][OH:34])[O:54][C@@H:31]([O:58][C@H:22]3[C@@H:13]([OH:38])[C@@H:7]([CH2:2][OH:33])[O:53][C@@H:30]([O:56][C@@H:10]4[CH2:5][O:52][C@@H:27]([OH:48])[C@H:17]([OH:42])[C@H:12]4[OH:37])[C@@H:19]3[OH:44])[C@@H:20]2[OH:45])[O:60][C@@H:25]1[C:26](=[O:46])[OH:47])[OH:36]

Parent-child relations graph

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