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BioLiP Library

PDB CCD ID: DHD
Number of entries in BioLiP: 1
Chemical formula: C5 H4 O6
InChI: InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)
InChIKey: TVKBBTQJNQDZRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)C(=O)O
ACDLabs 10.04O=C(C(=O)O)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)CC(=O)C(O)=O
Name:2,4-DIOXO-PENTANEDIOIC ACID
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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