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BioLiP

PDB CCD ID: 6OD
Number of entries in BioLiP: 4
Chemical formula: C6 H7 N O3
InChI: InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1+,5-3+
InChIKey: QCGTZPZKJPTAEP-NRNIAZNESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=C/C=O)\C=C(/C(=O)O)\N
CACTVS 3.370NC(=C/C=C/C=O)/C(O)=O
ACDLabs 12.01O=C(O)C(=C\C=C\C=O)/N
OpenEye OEToolkits 1.7.6C(=CC=O)C=C(C(=O)O)N
CACTVS 3.370NC(=CC=CC=O)C(O)=O
Name:(2E,4E)-2-amino-6-oxohexa-2,4-dienoic 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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