beta-tocopherol (CHEBI:47771)

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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

Supplier Information	eMolecules:31231867, ZINC000003875985

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Formula

C28H48O2

Net Charge

Average Mass

416.67952

Monoisotopic Mass

416.36543

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
Quercus rubra (NCBI:txid3512)	See: DOI
Quercus robur (NCBI:txid38942)	See: DOI
Panax ginseng (NCBI:txid4054)	From MetaboLights See: MetaboLights Study
Helianthus annuus (NCBI:txid4232)	Found in seed (PO:0009010). See: DOI
Homo sapiens (NCBI:txid9606)	See: DOI
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed

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 A physiological role played by 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 (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. (via vitamin E )

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) β-tocopherol (CHEBI:47771) is a vitamin E (CHEBI:33234)

IUPAC Name

(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

Synonyms	Sources
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol	IUPAC
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol	ChemIDplus
(2R,4'R,8'R)-β-tocopherol	ChEBI
(R,R,R)-β-tocopherol	ChEBI
5,8-dimethyltocol	ChEBI
beta-Tocopherol	KEGG COMPOUND
β-tocopherol	UniProt
RRR-β-tocopherol	ChEBI

Citations

Last Modified

04 August 2021