SEQ2FUN

BioLiP

PDB CCD ID: CA1
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O2
InChI: InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(=O)OCC
ACDLabs 10.04O=C(OCC)CC
CACTVS 3.341CCOC(=O)CC
Name:ETHYL PROPIONATE
ChEMBL: CHEMBL44115
ZINC: ZINC000000388078
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).