BioLiP

PDB

BioLiP

PDB CCD ID:

CNG

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O2

InChI:

InChI=1S/C10H19NO2/c12-10(13)8-11-9-6-4-2-1-3-5-7-9/h9,11H,1-8H2,(H,12,13)

InChIKey:

PNKNDNFLQNMQJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)CNC1CCCCCCC1
OpenEye OEToolkits 1.7.6	C1CCCC(CCC1)NCC(=O)O
ACDLabs 12.01	O=C(O)CNC1CCCCCCC1

Name:

N-cyclooctylglycine

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).