BioLiP

PDB

BioLiP

PDB CCD ID:

BXO

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O

InChI:

InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4-

InChIKey:

KGGVGTQEGGOZRN-PLNGDYQASA-N

SMILES:

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

Name:

(1Z)-butanal oxime;
n-Butyraldoxime

ZINC:

ZINC000013514543

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).