BioLiP

PDB

BioLiP

PDB CCD ID:

8I6

Number of entries in BioLiP:

Chemical formula:

C16 H24 O4

InChI:

InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20)

InChIKey:

PTAHKOJJUSGQFK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCc1cc(O)cc(O)c1C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCc1cc(cc(c1C(=O)O)O)O

Name:

2-nonyl-4,6-bis(oxidanyl)benzoic 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).