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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:carbocyclic thromboxane A2(1-)
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Accession:CHEBI:138322 term browser browse the term
Definition:A thromboxane anion that is the conjugate base of carbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoate
 related_synonym: 9alpha,11alpha-methylene TXA2(1-);   9alpha,11alpha-methylene thromboxane A2;   Formula=C21H33O4;   InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-20-19(16-14-18(15-16)25-20)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/p-1/b7-4-,13-12+/t16-,17-,18+,19-,20+/m0/s1;   InChIKey=VQUUFWNZZIMDBR-SXNJQZKASA-M;   SMILES=C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\\CCCC(=O)[O-];   carbocyclic TXA2(1-)
 xref: PMID:15789615
 cyclic_relationship: is_conjugate_base_of CHEBI:139043


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  CHEBI ontology 19773
    chemical entity 19773
      atom 19771
        nonmetal atom 19654
          carbon atom 19573
            organic molecular entity 19573
              carbocyclic thromboxane A2(1-) 0
                18-hydroxycarbocyclic thromboxane A2(1-) 0
                19-hydroxycarbocyclic thromboxane A2(1-) 0
Path 2
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  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic ion 8447
                              organic anion 3031
                                carboxylic acid anion 2392
                                  monocarboxylic acid anion 1496
                                    fatty acid anion 103
                                      unsaturated fatty acid anion 1
                                        prostanoid anion 0
                                          thromboxane anion 0
                                            carbocyclic thromboxane A2(1-) 0
                                              18-hydroxycarbocyclic thromboxane A2(1-) 0
                                              19-hydroxycarbocyclic thromboxane A2(1-) 0
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