EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C51H76O2 |
| Net Charge | 0 |
| Average Mass | 721.167 |
| Monoisotopic Mass | 720.58453 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)CCCC(C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O |
| InChI | InChI=1S/C51H76O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,34-36,43-44H,13-19,21,23,25,27,29-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,45-36+ |
| InChIKey | OREBSVBKRDBKQL-XBDFADRKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Natronobacterium gregoryi (ncbitaxon:44930) | - | DOI (10.1016/0378-1097(87)90417-4) |
| Roles Classification |
|---|
| Biological Roles: | fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tetrahydrom (CHEBI:221751) is a vitamin K (CHEBI:28384) |
| IUPAC Name |
|---|
| 2-methyl-3-[(2E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,14,18,22,26,30-hexaenyl]naphthalene-1,4-dione |
| Manual Xrefs | Databases |
|---|---|
| 78436108 | ChemSpider |