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BioLiP

PDB CCD ID: EKA
Number of entries in BioLiP: 2
Chemical formula: C8 H13 N O4
InChI: InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)
InChIKey: HMDGECZILRJLEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ON(C1CCCCC1)C(=O)C(O)=O
ACDLabs 12.01C(C(N(C1CCCCC1)O)=O)(O)=O
OpenEye OEToolkits 2.0.6C1CCC(CC1)N(C(=O)C(=O)O)O
Name:[cyclohexyl(hydroxy)amino](oxo)acetic acid
ChEMBL: CHEMBL4778109
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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