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BioLiP

PDB CCD ID: GM8
Number of entries in BioLiP: 0
Chemical formula: C10 H19 N O2
InChI: InChI=1S/C10H19NO2/c1-2-7(10(12)13)8-5-3-4-6-9(8)11/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKey: CYTBXYAGIBMIHA-CIUDSAMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O
ACDLabs 12.01O=C(O)C(CC)C1CCCCC1N
OpenEye OEToolkits 1.7.6CCC(C1CCCCC1N)C(=O)O
CACTVS 3.370CC[CH]([CH]1CCCC[CH]1N)C(O)=O
CACTVS 3.370CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(O)=O
Name:(2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid
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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