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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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      molecular entity 19799
        ion 16250
          organic ion 9167
            organic cation 8100
              quaternary ammonium ion 5116
                quaternary nitrogen compound 623
                  ammonium betaine 342
                    3-dehydrocarnitine 1
                      3-dehydrocarnityl CoA 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            inorganic hydride 17691
                              pnictogen hydride 17671
                                nitrogen hydride 17543
                                  ammonium 8235
                                    ammonium ion derivative 8231
                                      quaternary ammonium ion 5116
                                        quaternary nitrogen compound 623
                                          ammonium betaine 342
                                            3-dehydrocarnitine 1
                                              3-dehydrocarnityl CoA 0
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