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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 21763
    chemical entity 21761
      group 21641
        inorganic group 20558
          oxo group 19913
            organic oxo compound 19913
              carbonyl compound 19913
                carboxylic ester 16228
                  2,6-dimethylheptanoyl carnitine 0
                    (R)-2,6-dimethylheptanoylcarnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21763
    subatomic particle 21749
      composite particle 21749
        hadron 21749
          baryon 21749
            nucleon 21749
              atomic nucleus 21749
                atom 21749
                  main group element atom 21666
                    main group molecular entity 21666
                      s-block molecular entity 21211
                        hydrogen molecular entity 21151
                          hydrides 20375
                            inorganic hydride 18097
                              pnictogen hydride 18060
                                nitrogen hydride 17887
                                  ammonium 8108
                                    ammonium ion derivative 8104
                                      quaternary ammonium ion 5259
                                        quaternary nitrogen compound 656
                                          ammonium betaine 346
                                            amino-acid betaine 249
                                              carnitine 88
                                                O-acylcarnitine 46
                                                  C9-acylcarnitine 0
                                                    2,6-dimethylheptanoyl carnitine 0
                                                      (R)-2,6-dimethylheptanoylcarnitine 0
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