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BioLiP

PDB CCD ID: MOE
Number of entries in BioLiP: 3
Chemical formula: C3 H7 O2
InChI: InChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3/q-1
InChIKey: ASQUQUOEFDHYGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-]CCOC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCC[O-]
Name:METHOXY-ETHOXYL
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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