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BioLiP

PDB CCD ID: 01F
Number of entries in BioLiP: 2
Chemical formula: C3 H6 O3
InChI: InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)
InChIKey: CQDGTJPVBWZJAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)OCC
OpenEye OEToolkits 1.7.0CCOC(=O)O
CACTVS 3.370CCOC(O)=O
Name:ethyl hydrogen carbonate
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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