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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-16-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}hexadecyl]hexacosanoic acid
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Accession:CHEBI:88122 term browser browse the term
Definition:A C76 mycolic acid having a C50 meromycolic chain and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: C76 alpha-mycolic acid (C50/C26);   Formula=C76H148O3;   InChI=1S/C76H148O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-32-36-40-48-54-60-66-74(76(78)79)75(77)67-61-55-49-41-37-33-29-31-35-39-45-51-57-63-71-69-73(71)65-59-53-47-43-42-46-52-58-64-72-68-70(72)62-56-50-44-38-34-30-27-20-18-16-14-12-10-8-6-4-2/h70-75,77H,3-69H2,1-2H3,(H,78,79)/t70?,71?,72?,73?,74-,75-/m1/s1;   InChIKey=BCYWCCTUDCPBSD-IEAGMYRTSA-N;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCC[C@@H](O)[C@H](C(O)=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCC
 cyclic_relationship: is_conjugate_acid_of CHEBI:87921



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  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          metabolite 19515
            prokaryotic metabolite 18589
              bacterial metabolite 18589
                (2R)-2-[(1R)-1-hydroxy-16-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}hexadecyl]hexacosanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      monocarboxylic acid 18008
                                        fatty acid 16809
                                          branched-chain fatty acid 15160
                                            mycolic acid 0
                                              (2R)-2-[(1R)-1-hydroxy-16-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}hexadecyl]hexacosanoic acid 0
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