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BioLiP Library

PDB CCD ID: 69O
Number of entries in BioLiP: 5
Chemical formula: C5 H8 O3
InChI: InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey: KDVFRMMRZOCFLS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCCC(C(O)=O)=O
CACTVS 3.385CCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.4CCCC(=O)C(=O)O
Name:2-oxopentanoic acid;
2-Ketopentanoic acid
ChEMBL: CHEMBL1162544
ZINC: ZINC000001532684
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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