SEQ2FUN

BioLiP

PDB CCD ID: A9M
Number of entries in BioLiP: 5
Chemical formula: C22 H45 N O2
InChI: InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)
InChIKey: AUJVQJHODMISJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCCCCCCCCCCCCCCCC(=O)NCCO
ACDLabs 12.01O=C(NCCO)CCCCCCCCCCCCCCCCCCC
Name:N-(2-hydroxyethyl)icosanamide
ChEMBL: CHEMBL4237704
ZINC: ZINC000064858699
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).