SEQ2FUN

BioLiP

PDB CCD ID: EO3
Number of entries in BioLiP: 3
Chemical formula: C22 H44 O2
InChI: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCCC(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCCC(O)=O
Name:docosanoic acid;
Behenic acid
ChEMBL: CHEMBL1173474
ZINC: ZINC000006920378
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).