BioLiP

PDB

BioLiP

PDB CCD ID:

SAT

Number of entries in BioLiP:

Chemical formula:

C2 H4 O5 S

InChI:

InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

InChIKey:

AGGIJOLULBJGTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C[S](O)(=O)=O
ACDLabs 10.04	O=C(O)CS(=O)(=O)O
OpenEye OEToolkits 1.5.0	C(C(=O)O)S(=O)(=O)O

Name:

sulfoacetic acid

ZINC:

ZINC000004429660

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).