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BioLiP

PDB CCD ID: VDK
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N O2
InChI: InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1
InChIKey: CKTUXQBZPWBFDX-WDSKDSINSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(CC(C1)[NH3+])C(=O)O
OpenEye OEToolkits 2.0.7C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O
CACTVS 3.385[NH3+][CH]1CCC[CH](C1)C(O)=O
CACTVS 3.385[NH3+][C@H]1CCC[C@@H](C1)C(O)=O
Name:[(1S,3S)-3-carboxycyclohexyl]azanium
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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