BioLiP

PDB

BioLiP

PDB CCD ID:

BOW

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O3 S

InChI:

InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)

InChIKey:

ZXWAFSSPWCHAJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CCCCCCCCO[S](N)(=O)=O
OpenEye OEToolkits 1.7.0	CCCCCCCCOS(=O)(=O)N
ACDLabs 11.02	O=S(=O)(OCCCCCCCC)N

Name:

octyl sulfamate;
n-Octyl sulfamate

ChEMBL:

CHEMBL24261

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).