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BioLiP Library

PDB CCD ID: 54I
Number of entries in BioLiP: 4
Chemical formula: C3 H5 N O3
InChI: InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+
InChIKey: XTKKYEXSKPSWOJ-DUXPYHPUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O\N=C\CC(O)=O
OpenEye OEToolkits 2.0.7C(/C=N/O)C(=O)O
ACDLabs 12.01O=C(O)C\C=N\O
CACTVS 3.385ON=CCC(O)=O
OpenEye OEToolkits 2.0.7C(C=NO)C(=O)O
Name:(3E)-3-(hydroxyimino)propanoic 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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