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BioLiP

PDB CCD ID: UHR
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O
InChI: InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1
InChIKey: NYGCBQKDTGBHSC-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCO[C@H](C1)CN
CACTVS 3.385NC[CH]1CCCCO1
OpenEye OEToolkits 2.0.7C1CCOC(C1)CN
CACTVS 3.385NC[C@H]1CCCCO1
Name:[(2R)-oxan-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).
  • 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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