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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:t-butyl hexadecanoate
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Accession:CHEBI:131410 term browser browse the term
Definition:A hexadecanoate ester in which the carboxy hydrogen of hexadecanoic acid has been replaced by a tert-butyl group.
Synonyms:exact_synonym: tert-butyl hexadecanoate
 related_synonym: Formula=C20H40O2;   InChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3;   InChIKey=QESUPNPIYGFLCJ-UHFFFAOYSA-N;   SMILES=C(CCCCCCCCCC)CCCCC(OC(C)(C)C)=O;   hexadecanoic acid tert-butyl ester;   palmitic acid tert-butyl ester;   t-butyl palmitate;   tert-butyl palmitate
 xref: Chemspider:474139;   Reaxys:1790068


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    role 25966
      application 25188
        refrigerant 20347
          isobutane 1097
            tert-butanol 380
              tert-butyl ester 368
                t-butyl hexadecanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            heteroorganic entity 24782
                              organochalcogen compound 24395
                                organooxygen compound 24072
                                  carbon oxoacid 22773
                                    carboxylic acid 22753
                                      monocarboxylic acid 21759
                                        fatty acid 19102
                                          saturated fatty acid 18835
                                            straight-chain saturated fatty acid 17944
                                              hexadecanoic acid 2357
                                                hexadecanoate ester 12
                                                  t-butyl hexadecanoate 0
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