SEQ2FUN

BioLiP

PDB CCD ID: GXT
Number of entries in BioLiP: 2
Chemical formula: C2 H2 O2
InChI: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
InChIKey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=O)C=O
ACDLabs 12.01
CACTVS 3.385		O=CC=O
Name:ethanedial
ChEMBL: CHEMBL1606435
ZINC: ZINC000008437750
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).