BioLiP

PDB

BioLiP

PDB CCD ID:

A1B90

Number of entries in BioLiP:

Chemical formula:

C20 H38 O4

InChI:

InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)

InChIKey:

JJOJFIHJIRWASH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
CACTVS 3.385	OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O
ACDLabs 14.52	O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O

Name:

icosanedioic 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).