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BioLiP Library

PDB CCD ID: A1AQJ
Number of entries in BioLiP: 2
Chemical formula: C11 H13 N O3
InChI: InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2
InChIKey: PELYAGCBLDBUTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)C(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)C(=O)N2CCOCC2
ACDLabs 12.01O=C(c1cccc(O)c1)N1CCOCC1
Name:(3-hydroxyphenyl)(morpholin-4-yl)methanone
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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