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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:2,6-dimethylheptanoyl carnitine
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Accession:CHEBI:84095 term browser browse the term
Definition:A C9-acylcarnitine in which the acyl group specified is 2,6-dimethylheptanoyl.
Synonyms:exact_synonym: 3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate
 related_synonym: 3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate;   Formula=C16H31NO4;   InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3;   InChIKey=QBYXBONNCVATNQ-UHFFFAOYSA-N;   O-(2,6-dimethylheptanoyl)carnitine;   SMILES=CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C
 alt_id: CHEBI:86054
 xref: Chemspider:21239016;   FooDB:FDB023887;   HMDB:HMDB0006320;   LIPID_MAPS_instance:LMFA07070029;   PMID:17508264


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24824
    chemical entity 24794
      group 24691
        inorganic group 23597
          oxo group 22827
            organic oxo compound 22827
              carbonyl compound 22827
                carboxylic ester 16445
                  2,6-dimethylheptanoyl carnitine 0
                    (R)-2,6-dimethylheptanoylcarnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24824
    subatomic particle 24784
      composite particle 24784
        hadron 24784
          baryon 24784
            nucleon 24784
              atomic nucleus 24784
                atom 24784
                  main group element atom 24651
                    main group molecular entity 24651
                      s-block molecular entity 23983
                        hydrogen molecular entity 23823
                          hydrides 22060
                            inorganic hydride 19351
                              pnictogen hydride 19325
                                nitrogen hydride 19031
                                  ammonium 8050
                                    ammonium ion derivative 8046
                                      quaternary ammonium ion 5195
                                        quaternary nitrogen compound 640
                                          ammonium betaine 340
                                            amino-acid betaine 242
                                              carnitine 84
                                                O-acylcarnitine 43
                                                  C9-acylcarnitine 0
                                                    2,6-dimethylheptanoyl carnitine 0
                                                      (R)-2,6-dimethylheptanoylcarnitine 0
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