BioLiP

PDB

BioLiP

PDB CCD ID:

DT3

Number of entries in BioLiP:

Chemical formula:

C4 H9 O5 S2

InChI:

InChI=1S/C4H10O5S2/c5-3(1-10)4(6)2-11(7,8)9/h3-6,10H,1-2H2,(H,7,8,9)/p-1/t3-,4-/m1/s1

InChIKey:

BJXWUWDPCVAQDI-QWWZWVQMSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S
CACTVS 3.341	O[C@H](CS)[C@H](O)C[S]([O-])(=O)=O
OpenEye OEToolkits 1.5.0	C(C(C(CS(=O)(=O)[O-])O)O)S
ACDLabs 10.04	O=S([O-])(=O)CC(O)C(O)CS
CACTVS 3.341	O[CH](CS)[CH](O)C[S]([O-])(=O)=O

Name:

(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-1-SULFONATE

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).