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BioLiP Library

PDB CCD ID: 9J3
Number of entries in BioLiP: 7
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey: LOLKAJARZKDJTD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(=O)CCC(=O)OCC
CACTVS 3.385CCOC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.6CCOC(=O)CCC(=O)O
Name:4-ethoxy-4-oxobutanoic acid
ZINC: ZINC000002004473
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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