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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-octadecylcyclopropyl)decyl]cyclopropyl\}octadecyl]tetracosanoate
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Accession:CHEBI:87969 term browser browse the term
Definition:A C76 alpha-mycolate having a C52 meromycolic chain with two cis cyclopropyl functions and a saturated C24 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.
Synonyms:related_synonym: C76 alpha-mycolate (C52/C24);   C76 alpha-mycolate (l=17, m=10, n=17, p=21);   Formula=C76H147O3;   InChI=1S/C76H148O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-28-32-36-40-48-54-60-66-74(76(78)79)75(77)67-61-55-49-41-37-33-29-25-27-31-35-39-45-51-57-63-71-69-73(71)65-59-53-47-43-42-46-52-58-64-72-68-70(72)62-56-50-44-38-34-30-26-20-18-16-14-12-10-8-6-4-2/h70-75,77H,3-69H2,1-2H3,(H,78,79)/p-1/t70?,71?,72?,73?,74-,75-/m1/s1;   InChIKey=VALYEMHJQUPZKY-IEAGMYRTSA-M;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCC
 xref: PMID:97292
 cyclic_relationship: is_conjugate_base_of CHEBI:88120


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  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            prokaryotic metabolite 396
              bacterial metabolite 391
                (2R)-2-[(1R)-1-hydroxy-18-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}octadecyl]tetracosanoate 0
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic ion 19
                              organic anion 8
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    fatty acid anion 0
                                      hydroxy fatty acid anion 0
                                        (2R)-2-[(1R)-1-hydroxy-18-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}octadecyl]tetracosanoate 0
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