SEQ2FUN

BioLiP

PDB CCD ID: 9A4
Number of entries in BioLiP: 1
Chemical formula: C4 H8 O
InChI: InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-
InChIKey: WCASXYBKJHWFMY-IHWYPQMZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C\C=C/CO
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC=CCO
ACDLabs 12.01OC[C@H]=CC
OpenEye OEToolkits 2.0.6C/C=C\CO
Name:(2Z)-but-2-en-1-ol
ChEMBL: CHEMBL116709
ZINC: ZINC000012358664
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).