BioLiP

PDB

BioLiP

PDB CCD ID:

DSC

Number of entries in BioLiP:

Chemical formula:

C12 H25 O3 S

InChI:

InChI=1S/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1

InChIKey:

LDMOEFOXLIZJOW-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)([O-])CCCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCC[S]([O-])(=O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCS(=O)(=O)[O-]

Name:

DODECANESULFONATE ION

DrugBank:

DB07681

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).