BioLiP

PDB

BioLiP

PDB CCD ID:

VOD

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3 S

InChI:

InChI=1S/C9H10O3S/c1-2-8-3-5-9(6-4-8)7-13(10,11)12/h2-6H,1,7H2,(H,10,11,12)

InChIKey:

SDXKWPVFZWZYNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(O)Cc1ccc(cc1)\C=C
OpenEye OEToolkits 1.7.6	C=Cc1ccc(cc1)CS(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)Cc1ccc(C=C)cc1

Name:

(4-VINYLPHENYL)METHANESULFONIC 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).