BioLiP

PDB

BioLiP

PDB CCD ID:

F8U

Number of entries in BioLiP:

Chemical formula:

C4 H10 O8 S2

InChI:

InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1

InChIKey:

HLYMICSVYBDBOV-IMJSIDKUSA-N

SMILES:

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

Name:

(2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic 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).