BioLiP

PDB

BioLiP

PDB CCD ID:

TOH

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)

InChIKey:

HMXOGGUFCBUALL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C(=O)C=Cc1ccccc1O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C=CC(=O)C(=O)O)O
CACTVS 3.341	OC(=O)C(=O)\C=C/c1ccccc1O
ACDLabs 10.04	O=C(O)C(=O)/C=C\c1ccccc1O

Name:

(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-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).