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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 900
    chemical entity 900
      group 868
        inorganic group 702
          oxo group 394
            organic oxo compound 394
              carbonyl compound 394
                carboxylic ester 246
                  2,6-dimethylheptanoyl carnitine 0
                    (R)-2,6-dimethylheptanoylcarnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 900
    subatomic particle 885
      composite particle 885
        hadron 885
          baryon 885
            nucleon 885
              atomic nucleus 885
                atom 885
                  main group element atom 855
                    main group molecular entity 853
                      s-block molecular entity 742
                        hydrogen molecular entity 729
                          hydrides 355
                            inorganic hydride 248
                              pnictogen hydride 244
                                nitrogen hydride 244
                                  ammonium 22
                                    ammonium ion derivative 22
                                      quaternary ammonium ion 16
                                        quaternary nitrogen compound 14
                                          ammonium betaine 14
                                            amino-acid betaine 12
                                              carnitine 1
                                                O-acylcarnitine 1
                                                  C9-acylcarnitine 0
                                                    2,6-dimethylheptanoyl carnitine 0
                                                      (R)-2,6-dimethylheptanoylcarnitine 0
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