BioLiP

PDB

BioLiP

PDB CCD ID:

PXO

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O

InChI:

InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3-

InChIKey:

IFDZZSXEPSSHNC-ARJAWSKDSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC\C=N/O
ACDLabs 10.04	N(/O)=C/CC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCC=NO

Name:

(1Z)-propanal oxime;
(Z)-propionaldoxime

ZINC:

ZINC000100162432

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).