BioLiP

PDB

BioLiP

PDB CCD ID:

PUN

Number of entries in BioLiP:

Chemical formula:

C16 H34

InChI:

InChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3

InChIKey:

RDUBCTHNBWFPTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C
ACDLabs 12.01	CC(CC(CC(CC(C)C)(C)C)(C)C)(C)C

Name:

2,2,4,4,6,6,8-heptamethylnonane

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).