BioLiP

PDB

BioLiP

PDB CCD ID:

R7R

Number of entries in BioLiP:

Chemical formula:

C6 H12 O8 S

InChI:

InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1

InChIKey:

QFBWOLBPVQLZEH-DVKNGEFBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7	C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O
CACTVS 3.385	O[C@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.385	O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O

Name:

sulfoquinovose;
[(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid

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).