BioLiP

PDB

BioLiP

PDB CCD ID:

14V

Number of entries in BioLiP:

Chemical formula:

C20 H36 O4

InChI:

InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)

InChIKey:

DAKTXSDZCYKITO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O
CACTVS 3.370	CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
ACDLabs 12.01	O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC

Name:

3,5-dioxoicosanoic acid

ZINC:

ZINC000103521405

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).