BioLiP

PDB

BioLiP

PDB CCD ID:

OSF

Number of entries in BioLiP:

Chemical formula:

C8 H17 O4 S

InChI:

InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)/p-1

InChIKey:

UZZYXUGECOQHPU-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 10.04	[O-]S(=O)(=O)OCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCOS(=O)(=O)[O-]
CACTVS 3.341	CCCCCCCCO[S]([O-])(=O)=O

Name:

octyl sulfate

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).