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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-22-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}docosyl]hexacosanoate
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Accession:CHEBI:87974 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=17, m=10, n=21, p=23);   Formula=C82H159O3;   InChI=1S/C82H160O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-27-30-34-38-42-46-54-60-66-72-80(82(84)85)81(83)73-67-61-55-47-43-39-35-31-28-25-26-29-33-37-41-45-51-57-63-69-77-75-79(77)71-65-59-53-49-48-52-58-64-70-78-74-76(78)68-62-56-50-44-40-36-32-20-18-16-14-12-10-8-6-4-2/h76-81,83H,3-75H2,1-2H3,(H,84,85)/p-1/t76?,77?,78?,79?,80-,81-/m1/s1;   InChIKey=NMUKDWDWSNBARX-KBJIXYQNSA-M;   SMILES=C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCC
 xref: PMID:97292
 cyclic_relationship: is_conjugate_base_of CHEBI:88128


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                (2R)-2-[(1R)-1-hydroxy-22-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}docosyl]hexacosanoate 0
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  CHEBI ontology 397
    subatomic particle 397
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              atomic nucleus 397
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                                  monocarboxylic acid anion 3
                                    fatty acid anion 0
                                      hydroxy fatty acid anion 0
                                        (2R)-2-[(1R)-1-hydroxy-22-\{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl\}docosyl]hexacosanoate 0
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