BioLiP

PDB

BioLiP

PDB CCD ID:

JHM

Number of entries in BioLiP:

Chemical formula:

C6 H12 O8 S

InChI:

InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1

InChIKey:

GDISEEDIIABUSR-ZXXMMSQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1C(C(C(OC1O)COS(=O)(=O)O)O)O
OpenEye OEToolkits 1.7.0	C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O
CACTVS 3.370	O[CH]1C[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)O1
ACDLabs 12.01	O=S(=O)(O)OCC1OC(O)CC(O)C1O
CACTVS 3.370	O[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[S](O)(=O)=O)O1

Name:

2-deoxy-6-O-sulfo-alpha-D-glucopyranose;
2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose;
2-deoxy-6-O-sulfo-alpha-D-glucose;
2-deoxy-6-O-sulfo-D-glucose;
2-deoxy-6-O-sulfo-glucose

ZINC:

ZINC000058650367

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).