SEQ2FUN

BioLiP

PDB CCD ID: EEE
Number of entries in BioLiP: 17
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(OCC)C
CACTVS 3.352CCOC(C)=O
OpenEye OEToolkits 1.7.0CCOC(=O)C
Name:ETHYL ACETATE
ChEMBL: CHEMBL14152
ZINC: ZINC000000895412
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).