BioLiP

PDB

BioLiP

PDB CCD ID:

OES

Number of entries in BioLiP:

Chemical formula:

C10 H22 O2 S

InChI:

InChI=1S/C10H22O2S/c1-2-3-4-5-6-7-9-13(12)10-8-11/h11H,2-10H2,1H3/t13-/m1/s1

InChIKey:

IRJUEMKMQDEOTQ-CYBMUJFWSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(CCCCCCCC)CCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCC[S@@](=O)CCO
CACTVS 3.341	CCCCCCCC[S](=O)CCO
OpenEye OEToolkits 1.5.0	CCCCCCCCS(=O)CCO

Name:

N-OCTYL-2-HYDROXYETHYL SULFOXIDE

DrugBank:

DB02415

ZINC:

ZINC000014880337

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).