BioLiP

PDB

BioLiP

PDB CCD ID:

OOH

Number of entries in BioLiP:

Chemical formula:

C15 H14 O7

InChI:

InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3

InChIKey:

GSEGHWAXDYOZNU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O
CACTVS 3.385	CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O

Name:

3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione

ChEMBL:

CHEMBL4779818

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).