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BioLiP

PDB CCD ID: 3A0
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O2
InChI: InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKey: UQHCHLWYGMSPJC-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CCN[CH](C1)C(O)=O
OpenEye OEToolkits 1.9.2C[C@H]1CCN[C@@H](C1)C(=O)O
CACTVS 3.385C[C@H]1CCN[C@@H](C1)C(O)=O
ACDLabs 12.01O=C(O)C1NCCC(C)C1
OpenEye OEToolkits 1.9.2CC1CCNC(C1)C(=O)O
Name:(2S,4S)-4-methylpiperidine-2-carboxylic acid
ZINC: ZINC000002512944
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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