BioLiP

PDB

BioLiP

PDB CCD ID:

CIN

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+

InChIKey:

HAEJSGLKJYIYTB-ZZXKWVIFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1\C=C\C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0	c1cc(ccc1C=CC(=O)O)C(=O)O
CACTVS 3.341	OC(=O)/C=C/c1ccc(cc1)C(O)=O
CACTVS 3.341	OC(=O)C=Cc1ccc(cc1)C(O)=O
ACDLabs 10.04	O=C(O)c1ccc(\C=C\C(=O)O)cc1

Name:

4-CARBOXYCINNAMIC ACID

DrugBank:

DB02126

ZINC:

ZINC000000074762

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).