BioLiP

PDB

BioLiP

PDB CCD ID:

VE2

Number of entries in BioLiP:

Chemical formula:

C16 H12 O6

InChI:

InChI=1S/C16H12O6/c17-13-5-3-9(7-11(13)15(19)20)1-2-10-4-6-14(18)12(8-10)16(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b2-1+

InChIKey:

SEOGGUVUVSSDJX-OWOJBTEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C=Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O
CACTVS 3.385	OC(=O)c1cc(ccc1O)C=Cc2ccc(O)c(c2)C(O)=O
CACTVS 3.385	OC(=O)c1cc(ccc1O)/C=C/c2ccc(O)c(c2)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1/C=C/c2ccc(c(c2)C(=O)O)O)C(=O)O)O

Name:

5-[(E)-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid

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).