SEQ2FUN

BioLiP

PDB CCD ID: U6W
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O2
InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey: QOTQFLOTGBBMEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CCC(=O)O1
Name:5-methyl-3~{H}-furan-2-one;
alpha-angelica lactone
ChEMBL: CHEMBL478640
ZINC: ZINC000001596395
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).