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BioLiP

PDB CCD ID: DO4
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O4
InChI: InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)
InChIKey: VHKNBDIQDAXGBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)C(=O)O)C=O
CACTVS 3.341OC(=O)C(=O)CCC=O
ACDLabs 10.04O=CCCC(=O)C(=O)O
Name:2,5-DIOXOPENTANOIC ACID
ZINC: ZINC000001532655
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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