SEQ2FUN

BioLiP

PDB CCD ID: 9X7
Number of entries in BioLiP: 20
Chemical formula: C5 H8 O3
InChI: InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
InChIKey: XXRCUYVCPSWGCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CCOC(=O)C(C)=O
OpenEye OEToolkits 2.0.6CCOC(=O)C(=O)C
Name:ethyl 2-oxopropanoate
ChEMBL: CHEMBL173373
DrugBank: DB05869
ZINC: ZINC000001679741
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).