SEQ2FUN

BioLiP

PDB CCD ID: 1KA
Number of entries in BioLiP: 7
Chemical formula: C4 H8 O3
InChI: InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
InChIKey: DSGGHBUAHUMMHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(COCC=O)O
ACDLabs 12.01O=CCOCCO
CACTVS 3.370OCCOCC=O
Name:(2-hydroxyethoxy)acetaldehyde
ZINC: ZINC000005113639
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).