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BioLiP

PDB CCD ID: QPM
Number of entries in BioLiP: 2
Chemical formula: C9 H19 N2 O
InChI: InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3/q-1
InChIKey: RJXZKBIIOCNSSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1([O-])C(C)(C)CC(CC1(C)C)N
CACTVS 3.385CC1(C)CC(N)CC(C)(C)N1[O-]
OpenEye OEToolkits 2.0.7CC1(CC(CC(N1[O-])(C)C)N)C
Name:4-amino-2,2,6,6-tetramethylpiperidin-1-ol;
4-Amino-TEMPO
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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