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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:O-hexanoylcarnitine
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Accession:CHEBI:70749 term browser browse the term
Definition:An O-acylcarnitine compound having hexanoyl as the acyl substituent.
Synonyms:exact_synonym: 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate
 related_synonym: 3-(hexanoyloxy)-4-(trimethylammonio)butanoate;   Formula=C13H25NO4;   InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3;   InChIKey=VVPRQWTYSNDTEA-UHFFFAOYSA-N;   SMILES=C(OC(CCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-];   hexanoylcarnitine
 xref: CAS:6418-78-6;   HMDB:HMDB0000705;   PMID:22770225;   Reaxys:1883044


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            butyrate 98
              carnitine 98
                O-acylcarnitine 43
                  O-hexanoylcarnitine 0
                    O-hexanoyl-L-carnitine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  ammonium 8311
                                    ammonium ion derivative 8306
                                      quaternary ammonium ion 5273
                                        quaternary nitrogen compound 853
                                          ammonium betaine 353
                                            amino-acid betaine 255
                                              carnitine 98
                                                O-acylcarnitine 43
                                                  O-hexanoylcarnitine 0
                                                    O-hexanoyl-L-carnitine + 0
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