SEQ2FUN

BioLiP

PDB CCD ID: 89N
Number of entries in BioLiP: 0
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+
InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C=CCO)O
ACDLabs 12.01OC\C=C\CO
CACTVS 3.385OCC=CCO
OpenEye OEToolkits 2.0.7C(/C=C/CO)O
CACTVS 3.385OC/C=C/CO
Name:(2E)-but-2-ene-1,4-diol
ChEMBL: CHEMBL3188586
ZINC: ZINC000005112523
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).