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BioLiP

PDB CCD ID: G5V
Number of entries in BioLiP: 1
Chemical formula: C7 H6 O5
InChI: InChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11)
InChIKey: NFPVFWUVBGEVHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=C(C(=O)C(=CO1)O)C(=O)O
CACTVS 3.385CC1=C(C(O)=O)C(=O)C(=CO1)O
ACDLabs 12.01O=C(O)C1=C(OC=C(C1=O)O)C
Name:5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
ChEMBL: CHEMBL1650617
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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