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CHEBI:202825 - Octahydroheptaprenyl mycolic acyl ester
| Formula | C93H178O3 |
| Net Charge | 0 |
| Average Mass | 1344.444 |
| Monoisotopic Mass | 1343.37760 |
| SMILES | CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCC)C(=O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChI | InChI=1S/C93H178O3/c1-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-81-92(94)91(80-60-58-56-54-52-50-48-46-28-26-24-22-20-18-16-14-12-2)93(95)96-83-82-90(10)79-67-78-89(9)77-66-76-88(8)75-65-74-87(7)73-64-72-86(6)71-63-70-85(5)69-62-68-84(3)4/h33-34,76,78,82,84-87,91-92,94H,11-32,35-75,77,79-81,83H2,1-10H3/b34-33-,88-76-,89-78-,90-82- |
| InChIKey | PKRWEVLTIROLCB-XTAAYNLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycolicibacterium chlorophenolicum (ncbitaxon:37916) | - | PubMed (20057120) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Octahydroheptaprenyl mycolic acyl ester (CHEBI:202825) is a sesterterpenoid (CHEBI:26660) |
| IUPAC Name |
|---|
| [(2Z,6Z,10Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10-trienyl] (Z)-3-hydroxy-2-nonadecylnonatriacont-24-enoate |
| Manual Xrefs | Databases |
|---|---|
| 78444029 | ChemSpider |