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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-18-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}octadecyl]hexacosanoate
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Accession:CHEBI:87973 term browser browse the term
Definition:A C80 alpha-mycolate having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: C80 alpha-mycolate (C54/C26);   C80 alpha-mycolate (l=19, m=10, n=17, p=23);   Formula=C80H155O3;   InChI=1S/C80H156O3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-32-36-40-44-52-58-64-70-78(80(82)83)79(81)71-65-59-53-45-41-37-33-29-31-35-39-43-49-55-61-67-75-73-77(75)69-63-57-51-47-46-50-56-62-68-76-72-74(76)66-60-54-48-42-38-34-30-27-22-20-18-16-14-12-10-8-6-4-2/h74-79,81H,3-73H2,1-2H3,(H,82,83)/p-1/t74?,75?,76?,77?,78-,79-/m1/s1;   InChIKey=VHOOWPPCSJGPSS-KOOJLLMASA-M;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCCCC
 xref: PMID:97292
 cyclic_relationship: is_conjugate_base_of CHEBI:88127



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  CHEBI ontology 22188
    role 22173
      biological role 22172
        biochemical role 21436
          metabolite 21384
            prokaryotic metabolite 19220
              bacterial metabolite 19220
                (2R)-2-[(1R)-1-hydroxy-18-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}octadecyl]hexacosanoate 0
Path 2
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  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      carbon group element atom 21915
                        carbon atom 21840
                          organic molecular entity 21840
                            organic ion 10077
                              organic anion 3688
                                carboxylic acid anion 2524
                                  monocarboxylic acid anion 1606
                                    fatty acid anion 129
                                      hydroxy fatty acid anion 0
                                        (2R)-2-[(1R)-1-hydroxy-18-\{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl\}octadecyl]hexacosanoate 0
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