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BioLiP Library

PDB CCD ID: O78
Number of entries in BioLiP: 3
Chemical formula: C7 H9 N O2
InChI: InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-
InChIKey: QYQCRKOROWCYTP-VURMDHGXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C\1/CCCC(=C1)C(=O)O
OpenEye OEToolkits 2.0.7C1CC(=CC(=N)C1)C(=O)O
CACTVS 3.385OC(=O)C1=CC(=N)CCC1
ACDLabs 12.01C1C\C(=N)C=C(C1)C(=O)O
Name:(3Z)-3-iminocyclohex-1-ene-1-carboxylic 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)(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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