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BioLiP

PDB CCD ID: GXP
Number of entries in BioLiP: 2
Chemical formula: C5 H6 O5
InChI: InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1
InChIKey: QZKCWTOLHHFWCD-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=CC(O)CC(=O)C(=O)O
OpenEye OEToolkits 1.7.6C(C(C=O)O)C(=O)C(=O)O
OpenEye OEToolkits 1.7.6C([C@@H](C=O)O)C(=O)C(=O)O
CACTVS 3.385O[C@@H](CC(=O)C(O)=O)C=O
CACTVS 3.385O[CH](CC(=O)C(O)=O)C=O
Name:(4S)-4-hydroxy-2,5-dioxopentanoic acid
ZINC: ZINC000100624191
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).
  • 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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