BioLiP

PDB

BioLiP

PDB CCD ID:

01Z

Number of entries in BioLiP:

Chemical formula:

C8 H14 O3

InChI:

InChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)

InChIKey:

GOLVMRZULJWHGT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1CCC(CC1)OCC(=O)O
ACDLabs 12.01	O=C(O)COC1CCCCC1
CACTVS 3.370	OC(=O)COC1CCCCC1

Name:

(cyclohexyloxy)acetic acid

ZINC:

ZINC000002585659

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).