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CHEBI:87703 - dihydroxy mycolic acid
| Formula | C82H162O4 |
| Net Charge | 0 |
| Average Mass | 1212.194 |
| Monoisotopic Mass | 1211.24731 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(O)C(C)CCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C82H162O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-81,83-84H,4-75H2,1-3H3,(H,85,86) |
| InChIKey | UWUJGRILHQLZMR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroxy mycolic acid (CHEBI:87703) has role bacterial metabolite (CHEBI:76969) |
| dihydroxy mycolic acid (CHEBI:87703) is a 3-hydroxy fatty acid (CHEBI:59845) |
| dihydroxy mycolic acid (CHEBI:87703) is a mycolic acid (CHEBI:25438) |
| dihydroxy mycolic acid (CHEBI:87703) is a ultra-long-chain fatty acid (CHEBI:143004) |
| dihydroxy mycolic acid (CHEBI:87703) is conjugate acid of dihydroxy mycolate (CHEBI:87706) |
| Incoming Relation(s) |
| dihydroxy mycolate (CHEBI:87706) is conjugate base of dihydroxy mycolic acid (CHEBI:87703) |
| IUPAC Name |
|---|
| 2-{1-hydroxy-18-[2-(17-hydroxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}tetracosanoic acid |
| Citations |
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