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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:5-PAHSA
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Accession:CHEBI:84457 term browser browse the term
Definition:A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 5-hydroxystearic acid.
Synonyms:exact_synonym: 5-(hexadecanoyloxy)octadecanoic acid
 related_synonym: 5-(palmitoyloxy)octadecanoic acid;   5-(palmitoyloxy)stearic acid;   Formula=C34H66O4;   InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36);   InChIKey=QBGKCWKQYJQHJX-UHFFFAOYSA-N;   SMILES=CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O;   palmitic acid-5-hydroxystearic acid
 xref: PMID:25303528
 cyclic_relationship: is_conjugate_acid_of CHEBI:83672



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  CHEBI ontology 20059
    role 20009
      application 19747
        anti-inflammatory agent 16333
          5-PAHSA 0
Path 2
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  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      carboxylic acid 18565
                                        monocarboxylic acid 17748
                                          fatty acid 16149
                                            saturated fatty acid 16127
                                              straight-chain saturated fatty acid 15555
                                                hexadecanoic acid 591
                                                  5-PAHSA 0
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