Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S

Properties Image MNX_ID MNXM1112644 reference chebi:146580 formula C14H21NO15S global charge 0 mol weight 475.381 InChIKey YEYRBRVYMZJMFB-FPHHQEDQSA-N InChI InChI=1S/C14H21NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-6,8-10,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,8-,9+,10-,13-,14-/m1/s1 SMILES CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C14H21NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-6,8-10,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,8-,9+,10-,13-,14-/m1/s1 SMILES (mnx) [CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:10]([O:28][C@H:14]2[C@H:8]([OH:20])[C@@H:6]([OH:18])[C:7]([OH:19])=[C:11]([C:12](=[O:21])[OH:22])[O:29]2)[C@@H:9]([O:30][S:31]([OH:24])(=[O:25])=[O:26])[C@@H:4]([CH2:2][OH:16])[O:27][C@H:13]1[OH:23])[OH:17]

Parent-child relations graph

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