BioLiP

PDB

BioLiP

PDB CCD ID:

GXS

Number of entries in BioLiP:

Chemical formula:

C5 H6 O5

InChI:

InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m1/s1

InChIKey:

QZKCWTOLHHFWCD-GSVOUGTGSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=CC(O)CC(=O)C(=O)O
OpenEye OEToolkits 1.7.6	C(C(C=O)O)C(=O)C(=O)O
OpenEye OEToolkits 1.7.6	C([C@H](C=O)O)C(=O)C(=O)O
CACTVS 3.385	O[C@H](CC(=O)C(O)=O)C=O
CACTVS 3.385	O[CH](CC(=O)C(O)=O)C=O

Name:

(4R)-4-hydroxy-2,5-dioxopentanoic acid

ZINC:

ZINC000013542639

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).