BioLiP

PDB

BioLiP

PDB CCD ID:

RVA

Number of entries in BioLiP:

Chemical formula:

C16 H12 O6

InChI:

InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9-

InChIKey:

GJZVTQNBNWGGSJ-LCYFTJDESA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O
CACTVS 3.370	OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/c2ccccc2
ACDLabs 12.01	O=C(O)c2cccc(O/C(C(=O)O)=C\c1ccccc1)c2O

Name:

3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

ZINC:

ZINC000095920818

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).