SEQ2FUN

BioLiP

PDB CCD ID: 4XX
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O3
InChI: InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
InChIKey: DLVYTANECMRFGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1=C(O)C(=O)CO1
OpenEye OEToolkits 1.7.6CC1=C(C(=O)CO1)O
ACDLabs 12.01O=C1C(O)=C(OC1)C
Name:4-hydroxy-5-methylfuran-3(2H)-one
ChEMBL: CHEMBL3182150
ZINC: ZINC000084397744
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).