BioLiP

PDB

BioLiP

PDB CCD ID:

YQX

Number of entries in BioLiP:

Chemical formula:

C8 H12 O5

InChI:

InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)

InChIKey:

HAGOOZVJLSSXGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CCC(=O)C(=O)O)CCC(=O)O

Name:

2-oxidanylideneoctanedioic 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).