BioLiP

PDB

BioLiP

PDB CCD ID:

ARN

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O

InChI:

InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2

InChIKey:

UWHJGSVKWBLVLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=CCCCC=[N@H]
OpenEye OEToolkits 1.5.0	C(CC=N)CC=O
CACTVS 3.341	N=CCCCC=O

Name:

1-IMINO-5-PENTANONE

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).