BioLiP

PDB

BioLiP

PDB CCD ID:

A1ADL

Number of entries in BioLiP:

Chemical formula:

C7 H12

InChI:

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChIKey:

CTMHWPIWNRWQEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CCCCC1
ACDLabs 12.01	CC=1CCCCC=1

Name:

1-methylcyclohex-1-ene

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).