BioLiP

PDB

BioLiP

PDB CCD ID:

XEP

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O

InChI:

InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3

InChIKey:

NDEOFSCLJFPNSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(N=O)C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)N=O

Name:

2-nitrosopropane

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).