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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:3-dehydrocarnitine
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Accession:CHEBI:57885 term browser browse the term
Definition:An ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3.
Synonyms:exact_synonym: 3-oxo-4-(trimethylazaniumyl)butanoate
 related_synonym: 3-oxo-4-(trimethylammonio)butanoate;   Formula=C7H13NO3;   InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3;   InChIKey=YNOWULSFLVIUDH-UHFFFAOYSA-N;   SMILES=C[N+](C)(C)CC(=O)CC([O-])=O
 xref: Beilstein:5509427;   HMDB:HMDB0012154
 xref_mesh: MESH:C103930
 xref: PMID:25037050;   PMID:4968678;   Reaxys:5509427;   Wikipedia:3-Dehydrocarnitine
 cyclic_relationship: is_conjugate_base_of CHEBI:16758



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5059
    chemical entity 5059
      molecular entity 5058
        ion 168
          organic ion 109
            organic cation 91
              quaternary ammonium ion 41
                quaternary nitrogen compound 34
                  ammonium betaine 34
                    3-dehydrocarnitine 0
                      3-dehydrocarnityl CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5059
    subatomic particle 5050
      composite particle 5050
        hadron 5050
          baryon 5050
            nucleon 5050
              atomic nucleus 5050
                atom 5050
                  main group element atom 5017
                    main group molecular entity 5016
                      s-block molecular entity 4947
                        hydrogen molecular entity 4941
                          hydrides 4564
                            inorganic hydride 405
                              pnictogen hydride 401
                                nitrogen hydride 401
                                  ammonium 50
                                    ammonium ion derivative 50
                                      quaternary ammonium ion 41
                                        quaternary nitrogen compound 34
                                          ammonium betaine 34
                                            3-dehydrocarnitine 0
                                              3-dehydrocarnityl CoA 0
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