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BioLiP

PDB CCD ID: L9I
Number of entries in BioLiP: 19
Chemical formula: C6 H9 N O4
InChI: InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h10H,3H2,1-2H3/b7-5-
InChIKey: IACSYDRIOYGJNH-ALCCZGGFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)C(=N/O)\C(C)=O
OpenEye OEToolkits 2.0.7CCOC(=O)/C(=N\O)/C(=O)C
CACTVS 3.385CCOC(=O)C(=NO)C(C)=O
OpenEye OEToolkits 2.0.7CCOC(=O)C(=NO)C(=O)C
Name:ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
ZINC: ZINC000012345800
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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