CHEBI:47771 - β-tocopherol

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ChEBI Name β-tocopherol
ChEBI ID CHEBI:47771
ChEBI ASCII Name beta-tocopherol
Definition A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35069, CHEBI:22855
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Formula C28H48O2
Net Charge 0
Average Mass 416.67952
Monoisotopic Mass 416.365
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
InChIKey WGVKWNUPNGFDFJ-DQCZWYHMSA-N
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via vitamin E )
(via tocol )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
food component
Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin E )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-tocopherol (CHEBI:47771) has role food component (CHEBI:78295)
β-tocopherol (CHEBI:47771) has role plant metabolite (CHEBI:76924)
β-tocopherol (CHEBI:47771) is a tocopherol (CHEBI:27013)
IUPAC Name
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Synonyms Sources
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol ChemIDplus
5,8-dimethyltocol ChEBI
beta-Tocopherol KEGG COMPOUND
β-tocopherol UniProt
Manual Xrefs Databases
Beta-Tocopherol Wikipedia
C00007364 KNApSAcK
C14152 KEGG COMPOUND
HMDB0006335 HMDB
View more database links
Registry Numbers Types Sources
148-03-8 CAS Registry Number KEGG COMPOUND
16698-35-4 CAS Registry Number ChemIDplus
93070 Beilstein Registry Number Beilstein
93070 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22168240 PubMed citation Europe PMC
23997325 PubMed citation Europe PMC
Last Modified
23 October 2015