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BioLiP Library

PDB CCD ID: O8I
Number of entries in BioLiP: 12
Chemical formula: C7 H11 N O4
InChI: InChI=1S/C7H11NO4/c1-3-5(9)6(8-11)7(10)12-4-2/h11H,3-4H2,1-2H3/b8-6-
InChIKey: FOGXVRUMMPWXRL-VURMDHGXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOC(=O)\C(=N/O)C(=O)CC
CACTVS 3.385CCOC(=O)C(=NO)C(=O)CC
OpenEye OEToolkits 3.1.0.0CCC(=O)/C(=N/O)/C(=O)OCC
OpenEye OEToolkits 3.1.0.0CCC(=O)C(=NO)C(=O)OCC
Name:ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate;
ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
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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