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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)-1-hydroxy-20-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoate
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Accession:CHEBI:87975 term browser browse the term
Definition:A C82 alpha-mycolate having a C56 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: C82 alpha-mycolate (C56/C26);   C82 alpha-mycolate (l=19, m=10, n=19, p=23);   Formula=C82H159O3;   InChI=1S/C82H160O3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-30-34-38-42-46-54-60-66-72-80(82(84)85)81(83)73-67-61-55-47-43-39-35-31-27-29-33-37-41-45-51-57-63-69-77-75-79(77)71-65-59-53-49-48-52-58-64-70-78-74-76(78)68-62-56-50-44-40-36-32-28-22-20-18-16-14-12-10-8-6-4-2/h76-81,83H,3-75H2,1-2H3,(H,84,85)/p-1/t76?,77?,78?,79?,80-,81-/m1/s1;   InChIKey=ZMMGYWGPGHSXNF-KBJIXYQNSA-M;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCCCC
 xref: PMID:97292
 cyclic_relationship: is_conjugate_base_of CHEBI:88129


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  CHEBI ontology 19771
    role 19716
      biological role 19716
        biochemical role 19304
          metabolite 19286
            prokaryotic metabolite 18388
              bacterial metabolite 18388
                (2R)-2-[(1R)-1-hydroxy-20-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoate 0
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  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic ion 8455
                              organic anion 3036
                                carboxylic acid anion 2398
                                  monocarboxylic acid anion 1499
                                    fatty acid anion 103
                                      hydroxy fatty acid anion 0
                                        (2R)-2-[(1R)-1-hydroxy-20-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoate 0
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