BioLiP

PDB

BioLiP

PDB CCD ID:

9J3

Number of entries in BioLiP:

Chemical formula:

C6 H10 O4

InChI:

InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)

InChIKey:

LOLKAJARZKDJTD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(=O)CCC(=O)OCC
CACTVS 3.385	CCOC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.6	CCOC(=O)CCC(=O)O

Name:

4-ethoxy-4-oxobutanoic acid

ZINC:

ZINC000002004473

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).