BioLiP

PDB

BioLiP

PDB CCD ID:

BG9

Number of entries in BioLiP:

Chemical formula:

C12 H10 O4

InChI:

InChI=1S/C12H10O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+

InChIKey:

ZFCNOKDRWHSHNR-KQQUZDAGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O
CACTVS 3.385	OC(=O)/C=C/c1ccccc1/C=C/C(O)=O
CACTVS 3.385	OC(=O)C=Cc1ccccc1C=CC(O)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C=CC(=O)O)C=CC(=O)O
ACDLabs 12.01	c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[C@H]C(O)=O

Name:

(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic 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).