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BioLiP

PDB CCD ID: XK1
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
InChIKey: JUAFUPTWZIUUQO-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[CH]1COCN1
ACDLabs 12.01NCC1NCOC1
CACTVS 3.385NC[C@@H]1COCN1
OpenEye OEToolkits 2.0.7C1C(NCO1)CN
OpenEye OEToolkits 2.0.7C1[C@H](NCO1)CN
Name:1-[(4R)-1,3-oxazolidin-4-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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