BioLiP

PDB

BioLiP

PDB CCD ID:

AOP

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3

InChIKey:

PKNNPRVGISCRDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCONCC=O
ACDLabs 10.04	O=CCNOCCCCC

Name:

PENTYLOXYAMINO-ACETALDEHYDE

ZINC:

ZINC000006397287

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).