EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:177089 - (S,S,R)-α-tocopherol
| Formula | C29H50O2 |
| Net Charge | 0 |
| Average Mass | 430.717 |
| Monoisotopic Mass | 430.38108 |
| SMILES | Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 |
| InChI | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22+,29+/m1/s1 |
| InChIKey | GVJHHUAWPYXKBD-BXOOBUKZSA-N |
| Roles Classification |
|---|
| Chemical Roles: | food antioxidant An antioxidant that used as a food additives to help guard against food deterioration. antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | food antioxidant An antioxidant that used as a food additives to help guard against food deterioration. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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. 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. |
| Application: | food antioxidant An antioxidant that used as a food additives to help guard against food deterioration. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S,S,R)-α-tocopherol (CHEBI:177089) is a α-tocopherol (CHEBI:22470) |
| (S,S,R)-α-tocopherol (CHEBI:177089) is enantiomer of (R,R,S)-α-tocopherol (CHEBI:177081) |
| Incoming Relation(s) |
| (R,R,S)-α-tocopherol (CHEBI:177081) is enantiomer of (S,S,R)-α-tocopherol (CHEBI:177089) |
| IUPAC Name |
|---|
| (2S)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol |
| Synonyms | Source |
|---|---|
| (2S)-2,5,7,8-tetramethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol | IUPAC |
| (2S,4'S,8'R)-α-tocopherol | ChEBI |
| SSR-α-tocopherol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 34987394 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:79434-82-5 | ChEBI |