BioLiP

PDB

BioLiP

PDB CCD ID:

AS8

Number of entries in BioLiP:

Chemical formula:

C2 H4 O5 S

InChI:

InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6)

InChIKey:

HZWXJJCSDBQVLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(=O)O[S](O)(=O)=O
OpenEye OEToolkits 1.6.1	CC(=O)OS(=O)(=O)O

Name:

ACETYLSULFATE;
SULFO ETHANOATE

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).