BioLiP

PDB

BioLiP

PDB CCD ID:

TAN

Number of entries in BioLiP:

Chemical formula:

C5 H9 N

InChI:

InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3

InChIKey:

JAMNHZBIQDNHMM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CC(C)(C)C#N

Name:

2,2-dimethylpropanenitrile;
Trimethylacetonitrile

ZINC:

ZINC000001587676

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).