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BioLiP

PDB CCD ID: 2FO
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N O5
InChI: InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?
InChIKey: ZJPKQPAJQMTZFR-FLYORBSUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(=[N@H])/C(=C/C=C\O)/C(=O)O
OpenEye OEToolkits 1.7.6C(=CO)C=C(C(=N)C(=O)O)C(=O)O
CACTVS 3.385OC=CC=C(C(O)=O)C(=N)C(O)=O
CACTVS 3.385O/C=C\C=C(/C(O)=O)C(=N)C(O)=O
Name:(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic 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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