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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 1:134,038,644...134,057,969
Ensembl chr 1:134,029,772...134,058,025 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    chemical entity 19909
      molecular entity 19880
        ion 17095
          organic ion 11438
            organic cation 8948
              quaternary ammonium ion 5302
                quaternary nitrogen compound 883
                  ammonium betaine 370
                    3-dehydrocarnitine 1
                      3-dehydrocarnityl CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    main group molecular entity 19849
                      s-block molecular entity 19681
                        hydrogen molecular entity 19662
                          hydrides 19167
                            inorganic hydride 18182
                              pnictogen hydride 18172
                                nitrogen hydride 18085
                                  ammonium 8307
                                    ammonium ion derivative 8322
                                      quaternary ammonium ion 5302
                                        quaternary nitrogen compound 883
                                          ammonium betaine 370
                                            3-dehydrocarnitine 1
                                              3-dehydrocarnityl CoA 0
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