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BioLiP

PDB CCD ID: 6JN
Number of entries in BioLiP: 8
Chemical formula: C5 H6 O5
InChI: InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C(=O)O)C(CC(O)=O)=O
CACTVS 3.385OC(=O)CC(=O)CC(O)=O
OpenEye OEToolkits 2.0.4C(C(=O)CC(=O)O)C(=O)O
Name:3-oxopentanedioic acid
ZINC: ZINC000000388410
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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