BioLiP

PDB

BioLiP

PDB CCD ID:

GAQ

Number of entries in BioLiP:

Chemical formula:

C5 H10 O2

InChI:

InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2

InChIKey:

CNRGMQRNYAIBTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=CCCCCO
OpenEye OEToolkits 1.5.0	C(CCO)CC=O
CACTVS 3.341	OCCCCC=O

Name:

5-HYDROXYPENTANAL

ZINC:

ZINC000001690994

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).