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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:7-PAHSA(1-)
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Accession:CHEBI:83700 term browser browse the term
Definition:A long-chain fatty acid anion that is the conjugate base of 7-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: 7-(hexadecanoyloxy)octadecanoate
 related_synonym: 7-(palmitoyloxy)octadecanoate;   7-(palmitoyloxy)stearate;   Formula=C34H65O4;   InChI=1S/C34H66O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-31-34(37)38-32(29-25-23-26-30-33(35)36)28-24-21-19-17-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/p-1;   InChIKey=USNXMSKYBRAGPQ-UHFFFAOYSA-M;   SMILES=CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CCCCCC([O-])=O;   hexadecanoyl-7-hydroxyoctadecanoate ester;   palmitoyl-7-hydroxystearate ester(1-)
 xref: PMID:25303528
 cyclic_relationship: is_conjugate_base_of CHEBI:84479


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  CHEBI ontology 499
    role 499
      application 457
        anti-inflammatory agent 36
          7-PAHSA(1-) 0
Path 2
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  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      chalcogen 450
                        chalcogen molecular entity 450
                          oxygen molecular entity 448
                            oxide 22
                              oxoanion 13
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    fatty acid anion 0
                                      long-chain fatty acid anion 0
                                        7-PAHSA(1-) 0
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