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BioLiP

PDB CCD ID: K96
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N2 O3
InChI: InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)
InChIKey: ATXCVEYWESPIDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC[C@@H]1CCCO1)N2CCOCC2
OpenEye OEToolkits 2.0.7C1C[C@H](OC1)CNC(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7C1CC(OC1)CNC(=O)N2CCOCC2
CACTVS 3.385O=C(NC[CH]1CCCO1)N2CCOCC2
ACDLabs 12.01O=C(NCC1CCCO1)N1CCOCC1
Name:N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
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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