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BioLiP

PDB CCD ID: EOM
Number of entries in BioLiP: 0
Chemical formula: C3 H7 O2
InChI: InChI=1S/C3H7O2/c1-2-5-3-4/h2-3H2,1H3/q-1
InChIKey: HPQKTMSBKRYDEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCOC[O-]
ACDLabs 12.01[O-]COCC
Name:ETHYLOXYMETHOXYL
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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