BioLiP

PDB

BioLiP

PDB CCD ID:

QT8

Number of entries in BioLiP:

Chemical formula:

C5 H8 O3

InChI:

InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)

InChIKey:

FHSUFDYFOHSYHI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(=O)CC(O)=O
OpenEye OEToolkits 2.0.7	CCC(=O)CC(=O)O

Name:

3-oxidanylidenepentanoic acid;
3-oxovalerate

ZINC:

ZINC000000901313

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).