BioLiP

PDB

BioLiP

PDB CCD ID:

RB8

Number of entries in BioLiP:

Chemical formula:

C6 H12 O8 S

InChI:

InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey:

QTQNAYQDKCBJTC-ARQDHWQXSA-N

SMILES:

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

Name:

6-deoxy-6-sulfo-D-fructose;
[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid

ZINC:

ZINC000096095523

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).