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BioLiP

PDB CCD ID: KG7
Number of entries in BioLiP: 2
Chemical formula: C3 H5 N O3
InChI: InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+
InChIKey: MVGBKLTYYAYYGY-DUXPYHPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=NO)C(=O)O
OpenEye OEToolkits 2.0.6C/C(=N\O)/C(=O)O
CACTVS 3.385CC(=N\O)/C(O)=O
ACDLabs 12.01O=C(O)\C(=N\O)C
CACTVS 3.385CC(=NO)C(O)=O
Name:(2E)-2-(hydroxyimino)propanoic acid
ChEMBL: CHEMBL4091867
ZINC: ZINC000012495959
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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