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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:12(S)-HETrE
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Accession:CHEBI:90995 term browser browse the term
Definition:A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton.
Synonyms:exact_synonym: (8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoic acid
 related_synonym: (12S)-hydroxy-(8Z,10E,14Z)-eicosatrienoic acid;   (12S)-hydroxy-(8Z,10E,14Z)-icosatrienoic acid;   12S-HETrE;   Formula=C20H34O3;   InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1;   InChIKey=YYIXZLMPKIFFGQ-ONNNWOQGSA-N;   SMILES=C(CCC(O)=O)CCC\\C=C/C=C/[C@H](C/C=C\\CCCCC)O
 xref: PMID:22984144;   PMID:7852839
 cyclic_relationship: is_conjugate_acid_of CHEBI:90771


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          metabolite 19319
            HETrE 0
              12(S)-HETrE 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        monocarboxylic acid 17494
                                          fatty acid 15997
                                            unsaturated fatty acid 939
                                              polyunsaturated fatty acid 677
                                                trienoic fatty acid 108
                                                  fatty acid 20:3 0
                                                    all-cis-icosa-8,11,14-trienoic acid 0
                                                      12(S)-HETrE 0
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