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BioLiP

PDB CCD ID: 449
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N O2
InChI: InChI=1S/C8H15NO2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3/p+1
InChIKey: ZUZDUOOCVXTRAU-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385C[N+]1(C)CCC(CC1)C(O)=O
OpenEye OEToolkits 1.7.6C[N+]1(CCC(CC1)C(=O)O)C
ACDLabs 12.01O=C(O)C1CC[N+](C)(C)CC1
Name:4-carboxy-1,1-dimethylpiperidin-1-ium
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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