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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:N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
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Accession:CHEBI:67049 term browser browse the term
Definition:A quaternary ammonium ion obtained by the protonation of the carboxy function of N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine.
Synonyms:exact_synonym: (1S)-1-carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium
 related_synonym: Formula=C9H16N3O2;   InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1;   InChIKey=GPPYTCRVKHULJH-QMMMGPOBSA-O;   Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine;   SMILES=C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C(O)=O
 xref: CAS:534-30-5;   KEGG:C05575
 cyclic_relationship: is_conjugate_acid_of CHEBI:15781


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              quaternary ammonium ion 0
                N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) 0
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  CHEBI ontology 0
    subatomic particle 0
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          baryon 0
            nucleon 0
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                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
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                              pnictogen hydride 0
                                nitrogen hydride 0
                                  ammonium 0
                                    ammonium ion derivative 0
                                      quaternary ammonium ion 0
                                        N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) 0
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