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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 chr15:90,083,045...90,102,468
Ensembl chr15:90,083,045...90,102,477 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      molecular entity 25998
        ion 18773
          organic ion 10241
            organic cation 9158
              quaternary ammonium ion 5365
                quaternary nitrogen compound 889
                  ammonium betaine 353
                    3-dehydrocarnitine 1
                      3-dehydrocarnityl CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    main group molecular entity 25841
                      s-block molecular entity 25162
                        hydrogen molecular entity 24761
                          hydrides 22973
                            inorganic hydride 20500
                              pnictogen hydride 20441
                                nitrogen hydride 20219
                                  ammonium 8190
                                    ammonium ion derivative 8185
                                      quaternary ammonium ion 5365
                                        quaternary nitrogen compound 889
                                          ammonium betaine 353
                                            3-dehydrocarnitine 1
                                              3-dehydrocarnityl CoA 0
paths to the root