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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:N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine
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Accession:CHEBI:132507 term browser browse the term
Definition:A fatty acid-taurine conjugate derived from N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)]-icosatetraenoic acid.
Synonyms:exact_synonym: 2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonic acid
 related_synonym: Formula=C22H37NO6S;   InChI=1S/C22H37NO6S/c1-2-3-4-5-10-13-16-21(29-25)17-14-11-8-6-7-9-12-15-18-22(24)23-19-20-30(26,27)28/h7-11,13-14,17,21,25H,2-6,12,15-16,18-20H2,1H3,(H,23,24)(H,26,27,28)/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1;   InChIKey=SSECKXODJGCASI-KUJNIBRASA-N;   N-[12(S)-HPETE]-taurine;   N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]taurine;   SMILES=C(=C/[C@H](C/C=C\\CCCCC)OO)\\C=C/C/C=C\\CCCC(=O)NCCS(O)(=O)=O
 xref: PMID:18311922
 cyclic_relationship: is_conjugate_acid_of CHEBI:132061


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      chemical role 24242
        antioxidant 17487
          taurine 419
            fatty acid-taurine conjugate 0
              N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      monocarboxylic acid 21724
                                        fatty acid 18997
                                          unsaturated fatty acid 1111
                                            polyunsaturated fatty acid 848
                                              fatty acid 20:4 368
                                                icosatetraenoic acid 368
                                                  icosa-5,8,10,14-tetraenoic acid 3
                                                    12-HETE 0
                                                      (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid 0
                                                        N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine 0
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