BioLiP

PDB

BioLiP

PDB CCD ID:

XBE

Number of entries in BioLiP:

Chemical formula:

C10 H8 O9 S3

InChI:

InChI=1S/C10H8O9S3/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)

InChIKey:

FEWNRIKJXAQRJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[S](=O)(=O)c1ccc2cc(cc(c2c1)[S](O)(=O)=O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7	c1cc(cc2c1cc(cc2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Name:

naphthalene-1,3,7-trisulfonic 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).