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BioLiP Library

PDB CCD ID: XHG
Number of entries in BioLiP: 2
Chemical formula: C5 H11 N O
InChI: InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKey: YNOGYQAEJGADFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[CH]1CCCO1
ACDLabs 12.01NCC1OCCC1
CACTVS 3.385NC[C@H]1CCCO1
OpenEye OEToolkits 2.0.7C1CC(OC1)CN
OpenEye OEToolkits 2.0.7C1C[C@@H](OC1)CN
Name:1-[(2R)-oxolan-2-yl]methanamine
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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