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BioLiP

PDB CCD ID: VGX
Number of entries in BioLiP: 4
Chemical formula: C4 H6 O4
InChI: InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
InChIKey: PUWWONYMIXRVQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CC(=O)C(O)=O)O
OpenEye OEToolkits 2.0.5C(CO)C(=O)C(=O)O
CACTVS 3.385OCCC(=O)C(O)=O
Name:4-hydroxy-2-oxobutanoic 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).
  • 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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