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BioLiP Library

PDB CCD ID: O9B
Number of entries in BioLiP: 4
Chemical formula: C7 H13 N O2
InChI: InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKey: BPSLZWSRHTULGU-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCCCC1C(=O)O
CACTVS 3.385CN1CCCC[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7CN1CCCC[C@@H]1C(=O)O
CACTVS 3.385CN1CCCC[CH]1C(O)=O
Name:(2~{R})-1-methylpiperidine-2-carboxylic acid
ZINC: ZINC000001621096
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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