BioLiP

PDB

BioLiP

PDB CCD ID:

3LX

Number of entries in BioLiP:

Chemical formula:

C13 H26 S

InChI:

InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3

InChIKey:

OPHBCQJSGYOCBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCC=S
ACDLabs 12.01	S=CCCCCCCCCCCCC

Name:

tridecanethial

ZINC:

ZINC000113266014

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).