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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 19762
    chemical entity 19762
      group 19681
        inorganic group 19172
          oxo group 18519
            organic oxo compound 18519
              carbonyl compound 18519
                carboxylic ester 15526
                  2,6-dimethylheptanoyl carnitine 0
                    (R)-2,6-dimethylheptanoylcarnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    main group molecular entity 19651
                      s-block molecular entity 19418
                        hydrogen molecular entity 19413
                          hydrides 18746
                            inorganic hydride 17471
                              pnictogen hydride 17448
                                nitrogen hydride 17302
                                  ammonium 8214
                                    ammonium ion derivative 8210
                                      quaternary ammonium ion 5107
                                        quaternary nitrogen compound 619
                                          ammonium betaine 337
                                            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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