BioLiP

PDB

BioLiP

PDB CCD ID:

KPA

Number of entries in BioLiP:

Chemical formula:

C5 H9 O6 P

InChI:

InChI=1S/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)

InChIKey:

UFXCSKVWNXIICO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(=O)C(=O)O)CP(=O)(O)O
CACTVS 3.341	OC(=O)C(=O)CCC[P](O)(O)=O
ACDLabs 10.04	O=C(C(=O)O)CCCP(=O)(O)O

Name:

2-OXO-5-PHOSPHONOPENTANOIC ACID

ZINC:

ZINC000024687891

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).