BioLiP

PDB

BioLiP

PDB CCD ID:

EN1

Number of entries in BioLiP:

Chemical formula:

C9 H8 O4

InChI:

InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+

InChIKey:

GQYBCIHRWMPOOF-VMPITWQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1C=C(C(=O)O)O)O
CACTVS 3.352	OC(=O)C(O)=Cc1ccc(O)cc1
CACTVS 3.352	OC(=O)\C(O)=C/c1ccc(O)cc1
ACDLabs 11.02	O=C(O)C(/O)=C\c1ccc(O)cc1
OpenEye OEToolkits 1.7.0	c1cc(ccc1/C=C(\C(=O)O)/O)O

Name:

(2E)-2-hydroxy-3-(4-hydroxyphenyl)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).