BioLiP

PDB

BioLiP

PDB CCD ID:

OSB

Number of entries in BioLiP:

Chemical formula:

C11 H10 O5

InChI:

InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

InChIKey:

YIVWQNVQRXFZJB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1ccccc1C(=O)CCC(=O)O
CACTVS 3.341	OC(=O)CCC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O

Name:

2-SUCCINYLBENZOATE;
O-SUCCINYLBENZOATE

DrugBank:

DB02251

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).