BioLiP

PDB

BioLiP

PDB CCD ID:

RDH

Number of entries in BioLiP:

Chemical formula:

C10 H8 O5

InChI:

InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)

InChIKey:

HGVAHYJMDVROLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C=C(C(=O)O)Oc1cccc(c1)C(=O)O
CACTVS 3.385	OC(=O)C(=C)Oc1cccc(c1)C(O)=O

Name:

3-[(1-Carboxyvinyl)oxy]benzoic acid;
3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid

ZINC:

ZINC000013435098

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).