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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:diphthamide zwitterion
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Accession:CHEBI:57580 term browser browse the term
Definition:A zwitterionic tautomer of diphthamide having an anionic carboxy group and a protonated primary amino group.
Synonyms:exact_synonym: (2S)-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-4-yl}-2-azaniumylpropanoate
 related_synonym: Formula=C13H24N5O3;   InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10+/m0/s1;   InChIKey=FOOBQHKMWYGHCE-UWVGGRQHSA-O;   SMILES=C[N+](C)(C)[C@@H](CCc1nc(C[C@H]([NH3+])C([O-])=O)c[nH]1)C(N)=O
 xref: Wikipedia:Diphthamide
 cyclic_relationship: is_tautomer_of CHEBI:15949


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  CHEBI ontology 909
    chemical entity 909
      molecular entity 907
        ion 130
          organic ion 56
            organic cation 38
              quaternary ammonium ion 16
                diphthamide zwitterion 0
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  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    main group molecular entity 861
                      s-block molecular entity 746
                        hydrogen molecular entity 733
                          hydrides 354
                            inorganic hydride 246
                              pnictogen hydride 242
                                nitrogen hydride 242
                                  ammonium 23
                                    ammonium ion derivative 23
                                      quaternary ammonium ion 16
                                        diphthamide zwitterion 0
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