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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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3-dehydrocarnitine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Idh2 isocitrate dehydrogenase (NADP(+)) 2 increases abundance
multiple interactions
ISO IDH2 protein mutant form results in increased abundance of 3-dehydrocarnitine
Triazines inhibits the reaction [IDH2 protein mutant form results in increased abundance of 3-dehydrocarnitine]
CTD PMID:27469509 NCBI chr 1:141,874,354...141,893,674
Ensembl chr 1:141,866,283...141,893,705
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19853
      molecular entity 19851
        ion 15945
          organic ion 8405
            organic cation 7249
              quaternary ammonium ion 5084
                quaternary nitrogen compound 566
                  ammonium betaine 285
                    3-dehydrocarnitine 1
                      3-dehydrocarnityl CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    main group molecular entity 19744
                      s-block molecular entity 19491
                        hydrogen molecular entity 19483
                          hydrides 18748
                            inorganic hydride 17481
                              pnictogen hydride 17454
                                nitrogen hydride 17296
                                  ammonium 8224
                                    ammonium ion derivative 8220
                                      quaternary ammonium ion 5084
                                        quaternary nitrogen compound 566
                                          ammonium betaine 285
                                            3-dehydrocarnitine 1
                                              3-dehydrocarnityl CoA 0
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