BioLiP

PDB

BioLiP

PDB CCD ID:

TQ9

Number of entries in BioLiP:

Chemical formula:

C5 H7 Cl O3

InChI:

InChI=1S/C5H7ClO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)

InChIKey:

NDODXPYZKSROJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C(CC(=O)O)C(=O)CCl
CACTVS 3.352	OC(=O)CCC(=O)CCl

Name:

5-CHLORO-4-OXOPENTANOIC ACID

ZINC:

ZINC000001769321

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).