beta-D-GlcA-(1->4)-alpha-D-GlcNAc6S-(1->4)-D-GlcA

Properties Image MNX_ID MNXM103136 reference chebi:65144 formula C20H31NO21S global charge 0 mol weight 653.521 InChIKey GPVUMDXYYUIUAP-DICUPYAKSA-N InChI InChI=1S/C20H31NO21S/c1-3(22)21-5-6(23)12(40-20-11(28)7(24)8(25)14(42-20)16(29)30)4(2-37-43(34,35)36)38-19(5)41-13-9(26)10(27)18(33)39-15(13)17(31)32/h4-15,18-20,23-28,33H,2H2,1H3,(H,21,22)(H,29,30)(H,31,32)(H,34,35,36)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19-,20-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H31NO21S/c1-3(22)21-5-6(23)12(40-20-11(28)7(24)8(25)14(42-20)16(29)30)4(2-37-43(34,35)36)38-19(5)41-13-9(26)10(27)18(33)39-15(13)17(31)32/h4-15,18-20,23-28,33H,2H2,1H3,(H,21,22)(H,29,30)(H,31,32)(H,34,35,36)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19-,20-/m1/s1 SMILES (mnx) [CH3:1][C:3](=[N:21][C@@H:5]1[C@@H:6]([OH:23])[C@H:12]([O:40][C@H:20]2[C@H:11]([OH:28])[C@@H:7]([OH:24])[C@H:8]([OH:25])[C@@H:14]([C:16](=[O:29])[OH:30])[O:42]2)[C@@H:4]([CH2:2][O:37][S:43]([OH:34])(=[O:35])=[O:36])[O:38][C@@H:19]1[O:41][C@H:13]1[C@H:9]([OH:26])[C@@H:10]([OH:27])[CH:18]([OH:33])[O:39][C@@H:15]1[C:17](=[O:31])[OH:32])[OH:22]

Parent-child relations graph

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