BioLiP

PDB

BioLiP

PDB CCD ID:

YBX

Number of entries in BioLiP:

Chemical formula:

C4 H8 O2 S

InChI:

InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey:

VJIKFWJCVWFZIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCSCC(=O)O
CACTVS 3.385	CCSCC(O)=O
ACDLabs 12.01	O=C(O)CSCC

Name:

(ethylsulfanyl)acetic 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).