BioLiP

PDB

BioLiP

PDB CCD ID:

NOE

Number of entries in BioLiP:

Chemical formula:

C2 H5 N O

InChI:

InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3

InChIKey:

IFYCAQIXDKZDTB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=NCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCN=O

Name:

NITROSOETHANE

DrugBank:

DB02646

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).