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BioLiP Library

PDB CCD ID: O45
Number of entries in BioLiP: 4
Chemical formula: C6 H9 N O4
InChI: InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)
InChIKey: GDURBQSLKIXQCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=C)CONC(=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=C)CONC(=O)C(=O)O
Name:2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic 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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