BioLiP

PDB

BioLiP

PDB CCD ID:

L6S

Number of entries in BioLiP:

Chemical formula:

C6 H12 O9 S

InChI:

InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m0/s1

InChIKey:

OKUVUONOJCDUJY-SXUWKVJYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.0	C(C1C(C(C(C(O1)O)O)O)O)OS(=O)(=O)O
OpenEye OEToolkits 1.7.0	C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O
CACTVS 3.352	O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.352	O[C@@H]1O[C@@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O

Name:

6-O-sulfo-alpha-L-galactopyranose;
6-O-sulfo-alpha-L-galactose;
6-O-sulfo-L-galactose;
6-O-sulfo-galactose

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).