BioLiP

PDB

BioLiP

PDB CCD ID:

RVE

Number of entries in BioLiP:

Chemical formula:

C10 H8 O6

InChI:

InChI=1S/C10H8O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15)

InChIKey:

RFJWXQPFGYFIBS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c1cccc(O/C(C(=O)O)=C)c1O
OpenEye OEToolkits 1.7.6	C=C(C(=O)O)Oc1cccc(c1O)C(=O)O
CACTVS 3.370	OC(=O)C(=C)Oc1cccc(C(O)=O)c1O

Name:

3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid

ZINC:

ZINC000087613188

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).