BioLiP

PDB

BioLiP

PDB CCD ID:

QC9

Number of entries in BioLiP:

Chemical formula:

C6 H14 O7 S

InChI:

InChI=1S/C6H14O7S/c7-2-1-4(8)6(10)5(9)3-14(11,12)13/h4-10H,1-3H2,(H,11,12,13)/t4-,5-,6-/m0/s1

InChIKey:

CASIPAVAJJTHFL-ZLUOBGJFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCC[C@H](O)[C@H](O)[C@@H](O)C[S](O)(=O)=O
CACTVS 3.385	OCC[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
OpenEye OEToolkits 3.1.0.0	C(CO)C(C(C(CS(=O)(=O)O)O)O)O
OpenEye OEToolkits 3.1.0.0	C(CO)[C@@H]([C@@H]([C@H](CS(=O)(=O)O)O)O)O

Name:

(2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic 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).