BioLiP

PDB

BioLiP

PDB CCD ID:

TK6

Number of entries in BioLiP:

Chemical formula:

C14 H18 O2

InChI:

InChI=1S/C14H18O2/c15-14(16)10-11-7-8-12-5-3-1-2-4-6-13(12)9-11/h7-9H,1-6,10H2,(H,15,16)

InChIKey:

UEYHGMIMELXAJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1ccc2CCCCCCc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1CC(=O)O)CCCCCC2
ACDLabs 12.01	O=C(O)Cc1cc2CCCCCCc2cc1

Name:

(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid

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).