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CHEBI:59233 - methoxy mycolic acid
| Formula | C83H164O4 |
| Net Charge | 0 |
| Average Mass | 1226.221 |
| Monoisotopic Mass | 1225.26296 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C83H164O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-30-37-43-49-55-61-67-73-80(83(85)86)81(84)74-68-62-56-50-44-38-31-27-29-35-41-47-53-59-65-71-78-76-79(78)72-66-60-54-48-42-36-32-33-39-45-51-57-63-69-75-82(87-4)77(3)70-64-58-52-46-40-34-28-22-20-18-16-14-12-10-8-6-2/h77-82,84H,5-76H2,1-4H3,(H,85,86) |
| InChIKey | KZLRXNDCHXPYTL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycobacterium tuberculosis (ncbitaxon:1773) | - | PubMed (10553679) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methoxy mycolic acid (CHEBI:59233) has role bacterial metabolite (CHEBI:76969) |
| methoxy mycolic acid (CHEBI:59233) has role epitope (CHEBI:53000) |
| methoxy mycolic acid (CHEBI:59233) is a mycolic acid (CHEBI:25438) |
| methoxy mycolic acid (CHEBI:59233) is a ultra-long-chain fatty acid (CHEBI:143004) |
| methoxy mycolic acid (CHEBI:59233) is conjugate acid of methoxy mycolate (CHEBI:87709) |
| Incoming Relation(s) |
| methoxy mycolate (CHEBI:87709) is conjugate base of methoxy mycolic acid (CHEBI:59233) |
| IUPAC Name |
|---|
| 2-{1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid |
| Citations |
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