BioLiP

PDB

BioLiP

PDB CCD ID:

98J

Number of entries in BioLiP:

Chemical formula:

C5 H8 O4

InChI:

InChI=1S/C5H8O4/c6-2-1-4(7)3-5(8)9/h6H,1-3H2,(H,8,9)

InChIKey:

ANTBRXMMNBUYMS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CO)C(=O)CC(=O)O
CACTVS 3.385	OCCC(=O)CC(O)=O
ACDLabs 12.01	O=C(O)CC(=O)CCO

Name:

5-HYDROXY-3-OXOPENTANOIC ACID

ZINC:

ZINC000098208614

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).