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BioLiP

PDB CCD ID: QRM
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/h3-4H,1-2,8H2,(H,9,10)
InChIKey: CMKSBGMWHUXBKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(=CC(=C1)N)C(=O)O
ACDLabs 12.01C(=O)(O)C=1CCC=C(C=1)N
CACTVS 3.385NC1=CCCC(=C1)C(O)=O
Name:3-aminocyclohexa-1,3-diene-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).
  • 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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