SEQ2FUN

BioLiP

PDB CCD ID: 2KT
Number of entries in BioLiP: 26
Chemical formula: C4 H6 O3
InChI: InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKey: TYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)CC
OpenEye OEToolkits 1.7.0CCC(=O)C(=O)O
Name:2-KETOBUTYRIC ACID;
2-OXOBUTANOIC ACID
ChEMBL: CHEMBL171246
DrugBank: DB04553
ZINC: ZINC000001532540
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).