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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-octanoyl-L-carnitine
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Accession:CHEBI:18102 term browser browse the term
Definition:The L-enantiomer of an O-octanoylcarnitine.
Synonyms:exact_synonym: (3R)-3-octanoyloxy-4-(trimethylammonio)butanoate
 related_synonym: Formula=C15H29NO4;   InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1;   InChIKey=CXTATJFJDMJMIY-CYBMUJFWSA-N;   L-Octanoylcarnitine;   L-octanoyl-L-carnitine;   O-octanoyl-R-carnitine;   SMILES=CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C
 alt_id: CHEBI:13147;   CHEBI:21366;   CHEBI:44613;   CHEBI:6279
 xref: CAS:25243-95-2;   HMDB:HMDB0000791;   KEGG:C02838;   LIPID_MAPS_instance:LMFA07070002;   MetaCyc:L-OCTANOYLCARNITINE;   PDBeChem:OCB;   PMID:22770225;   PMID:23078175;   PMID:6888266
 cyclic_relationship: is_enantiomer_of CHEBI:86051


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          metabolite 19285
            O-octanoylcarnitine 1
              O-octanoyl-L-carnitine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            inorganic hydride 17433
                              pnictogen hydride 17405
                                nitrogen hydride 17247
                                  ammonium 8226
                                    ammonium ion derivative 8222
                                      quaternary ammonium ion 5091
                                        quaternary nitrogen compound 571
                                          ammonium betaine 285
                                            amino-acid betaine 191
                                              carnitine 81
                                                (R)-carnitine 77
                                                  O-acyl-L-carnitine 38
                                                    saturated fatty acyl-L-carnitine 38
                                                      O-octanoyl-L-carnitine 0
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