SEQ2FUN

BioLiP

PDB CCD ID: 7N5
Number of entries in BioLiP: 9
Chemical formula: C6 H10 O3
InChI: InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey: XNIHZNNZJHYHLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(=O)C(=O)O
CACTVS 3.385CCCCC(=O)C(O)=O
Name:2-Ketohexanoic acid
ChEMBL: CHEMBL3247426
ZINC: ZINC000001532776
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).