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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-nonadecylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoic acid
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Accession:CHEBI:90084 term browser browse the term
Definition:A C81 alpha-mycolic acid having a C55 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: Formula=C81H158O3;   InChI=1S/C81H158O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-29-33-37-41-45-53-59-65-71-79(81(83)84)80(82)72-66-60-54-46-42-38-34-30-26-28-32-36-40-44-50-56-62-68-76-74-78(76)70-64-58-52-48-47-51-57-63-69-77-73-75(77)67-61-55-49-43-39-35-31-27-20-18-16-14-12-10-8-6-4-2/h75-80,82H,3-74H2,1-2H3,(H,83,84)/t75?,76?,77?,78?,79-,80-/m1/s1;   InChIKey=DBEVGXIYWUUDPS-IXLNILOOSA-N;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C(O)=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCCC
 xref: PMID:97292
 cyclic_relationship: is_conjugate_acid_of CHEBI:87980

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  CHEBI ontology 0
    role 0
      biological role 0
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          metabolite 0
            prokaryotic metabolite 0
              bacterial metabolite 0
                (2R)-2-[(1R)-1-hydroxy-20-\{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoic acid 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          branched-chain fatty acid 0
                                            mycolic acid 0
                                              (2R)-2-[(1R)-1-hydroxy-20-\{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl\}icosyl]hexacosanoic acid 0
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