BioLiP

PDB

BioLiP

PDB CCD ID:

PEI

Number of entries in BioLiP:

Chemical formula:

C5 H10 O2

InChI:

InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/f/h6H

InChIKey:

NQPDZGIKBAWPEJ-BRMMOCHJCG

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)CCCC
OpenEye OEToolkits 1.5.0	CCCCC(=O)O
CACTVS 3.341	CCCCC(O)=O

Name:

PENTANOIC ACID;
N-VALERIC ACID

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).