BioLiP

PDB

BioLiP

PDB CCD ID:

E8N

Number of entries in BioLiP:

Chemical formula:

C9 H18

InChI:

InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3

InChIKey:

YPJRYQGOKHKNKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC1(C)CCCCC1
OpenEye OEToolkits 2.0.6	CCC1(CCCCC1)C

Name:

1-ethyl-1-methyl-cyclohexane

ZINC:

ZINC000001699426

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).