BioLiP

PDB

BioLiP

PDB CCD ID:

A1D6Y

Number of entries in BioLiP:

Chemical formula:

C10 H10 O4

InChI:

InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

InChIKey:

YWWHKOHZGJFMIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 2.0.7	CCOC(=O)c1ccccc1C(=O)O

Name:

2-ethoxycarbonylbenzoic acid;
monoethyl phthalate

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).