BioLiP

PDB

BioLiP

PDB CCD ID:

UZS

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2 S

InChI:

InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)

InChIKey:

XKCHGAJRKPXTNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CCCS)CCC(=O)NO
CACTVS 3.385	ONC(=O)CCCCCCS
ACDLabs 12.01	ONC(CCCCCCS)=O

Name:

N-hydroxy-7-sulfanylheptanamide

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).