BioLiP

PDB

BioLiP

PDB CCD ID:

DGS

Number of entries in BioLiP:

Chemical formula:

C6 H10 O8 S

InChI:

InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1

InChIKey:

BBGPRYFPTZDJIZ-PHYPRBDBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O
CACTVS 3.352	O[CH]1O[CH]2CO[CH]([CH]2O)[CH]1O[S](O)(=O)=O
ACDLabs 11.02	O=S(=O)(O)OC1C2OCC(OC1O)C2O
OpenEye OEToolkits 1.7.0	C1C2C(C(O1)C(C(O2)O)OS(=O)(=O)O)O
CACTVS 3.352	O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O[S](O)(=O)=O

Name:

3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose;
3,6-ANHYDRO-D-GALACTOSE-2-SULFATE;
3,6-anhydro-2-O-sulfo-alpha-D-galactose;
3,6-anhydro-2-O-sulfo-D-galactose;
3,6-anhydro-2-O-sulfo-galactose

DrugBank:

DB01981

ZINC:

ZINC000005851134

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).