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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:(2R)-2-[(1R)-14-\{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl\}-1-hydroxytetradecyl]hexacosanoate
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Accession:CHEBI:87991 term browser browse the term
Definition:A C79 alpha-mycolate having a saturated C26 alpha-branch and a C53 meromycolic chain with a distal cis-double bond and a proximal cis-cyclopropyl function. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: C80 alpha-mycolate type-3 (l=19, m=14, n=13, p=23);   Formula=C79H153O3;   InChI=1S/C79H154O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-50-54-58-62-66-70-75-74-76(75)71-67-63-59-55-51-49-53-57-61-65-69-73-78(80)77(79(81)82)72-68-64-60-56-52-48-46-44-42-40-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,75-78,80H,3-33,36-74H2,1-2H3,(H,81,82)/p-1/b35-34-/t75?,76?,77-,78-/m1/s1;   InChIKey=KDYIABBZMLDLHA-MYDHLENQSA-M;   SMILES=C(CCCCCC1C(C1)CCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCCC
 xref: PMID:12055308
 cyclic_relationship: is_conjugate_base_of CHEBI:90089


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  CHEBI ontology 19773
    role 19723
      biological role 19723
        biochemical role 19311
          metabolite 19293
            prokaryotic metabolite 18391
              bacterial metabolite 18391
                (2R)-2-[(1R)-14-\{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl\}-1-hydroxytetradecyl]hexacosanoate 0
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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
                                      mycolates 0
                                        mycolate 0
                                          (2R)-2-[(1R)-14-\{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl\}-1-hydroxytetradecyl]hexacosanoate 0
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