SEQ2FUN

BioLiP

PDB CCD ID: 87K
Number of entries in BioLiP: 1
Chemical formula: C21 H42 O2
InChI: InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCC(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCC(O)=O
Name:henicosanoic acid
ChEMBL: CHEMBL1172909
ZINC: ZINC000006920377
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).