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BioLiP

PDB CCD ID: O8R
Number of entries in BioLiP: 16
Chemical formula: C7 H11 N O5
InChI: InChI=1S/C7H11NO5/c1-5(9)6(8-11)7(10)13-4-3-12-2/h11H,3-4H2,1-2H3/b8-6-
InChIKey: QNWLIKDDTJMEGE-VURMDHGXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCCOC(=O)\C(=N/O)C(C)=O
CACTVS 3.385COCCOC(=O)C(=NO)C(C)=O
OpenEye OEToolkits 3.1.0.0CC(=O)C(=NO)C(=O)OCCOC
OpenEye OEToolkits 3.1.0.0CC(=O)/C(=N/O)/C(=O)OCCOC
Name:2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate;
2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
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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