BioLiP

PDB

BioLiP

PDB CCD ID:

U9G

Number of entries in BioLiP:

Chemical formula:

C8 H16 O9 S

InChI:

InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1

InChIKey:

SYRNRUURZIIPLL-CBQIKETKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O
CACTVS 3.385	CO[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1OC
ACDLabs 12.01	OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
OpenEye OEToolkits 2.0.7	COC1C(C(OC(C1OC)O)COS(=O)(=O)O)O
CACTVS 3.385	CO[C@H]1[C@@H](O)O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H]1OC

Name:

2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose

ZINC:

ZINC000006483310

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).