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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 392
    chemical entity 392
      group 386
        inorganic group 335
          oxo group 308
            organic oxo compound 308
              carbonyl compound 308
                carboxylic ester 99
                  2,6-dimethylheptanoyl carnitine 0
                    (R)-2,6-dimethylheptanoylcarnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 392
    subatomic particle 392
      composite particle 392
        hadron 392
          baryon 392
            nucleon 392
              atomic nucleus 392
                atom 392
                  main group element atom 385
                    main group molecular entity 385
                      s-block molecular entity 330
                        hydrogen molecular entity 329
                          hydrides 270
                            inorganic hydride 234
                              pnictogen hydride 233
                                nitrogen hydride 233
                                  ammonium 5
                                    ammonium ion derivative 5
                                      quaternary ammonium ion 5
                                        quaternary nitrogen compound 1
                                          ammonium betaine 1
                                            amino-acid betaine 0
                                              carnitine 0
                                                O-acylcarnitine 0
                                                  C9-acylcarnitine 0
                                                    2,6-dimethylheptanoyl carnitine 0
                                                      (R)-2,6-dimethylheptanoylcarnitine 0
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