BioLiP

PDB

BioLiP

PDB CCD ID:

SG6

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O9 S

InChI:

InChI=1S/C8H15NO9S/c1-3(10)17-7-4(2-16-19(9,14)15)18-8(13)6(12)5(7)11/h4-8,11-13H,2H2,1H3,(H2,9,14,15)/t4-,5-,6-,7+,8+/m1/s1

InChIKey:

FXBYYANFSLVRSY-YQXRAVKXSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(=O)O[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO[S](N)(=O)=O
CACTVS 3.370	CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[S](N)(=O)=O
OpenEye OEToolkits 1.7.2	CC(=O)OC1C(OC(C(C1O)O)O)COS(=O)(=O)N
OpenEye OEToolkits 1.7.2	CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N
ACDLabs 12.01	O=S(=O)(OCC1OC(O)C(O)C(O)C1OC(=O)C)N

Name:

4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose;
4-O-acetyl-6-O-sulfamoyl-alpha-D-galactose;
4-O-acetyl-6-O-sulfamoyl-D-galactose;
4-O-acetyl-6-O-sulfamoyl-galactose

ZINC:

ZINC000098209402

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).