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CHEBI:33275 - β-tocotrienol

ChEBI IDCHEBI:33275
ChEBI Nameβ-tocotrienol
Stars
ASCII Namebeta-tocotrienol
DefinitionA tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat.
Secondary ChEBI IDCHEBI:35070
Last Modified4 August 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
InChIInChI=1S/C28H42O2/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/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
InChIKeyFGYKUFVNYVMTAM-WAZJVIJMSA-N
Wikipedia
Roles Classification
Chemical Roles:
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
β-tocotrienol (CHEBI:33275) has role antineoplastic agent (CHEBI:35610)
β-tocotrienol (CHEBI:33275) has role apoptosis inducer (CHEBI:68495)
β-tocotrienol (CHEBI:33275) has role plant metabolite (CHEBI:76924)
β-tocotrienol (CHEBI:33275) is a tocotrienol (CHEBI:33235)
β-tocotrienol (CHEBI:33275) is a vitamin E (CHEBI:33234)
IUPAC Name 
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms  Source
ε-tocopherolChemIDplus
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-olChemIDplus
β-tocotrienolChemIDplus
beta-tocotrienolKEGG COMPOUND
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-olIUPAC
UniProt Name  Source
β-tocotrienolUniProt
Manual XrefsDatabases
C14154KEGG COMPOUND
LMPR02020055LIPID MAPS
CPD-15837MetaCyc
MX2010003631Patent
CN101842488Patent
EP2198029Patent
US2007021497Patent
Beta-TocotrienolWikipedia
HMDB0030554HMDB
FDB002433FooDB
C00035060KNApSAcK
4445513ChemSpider
US2011113503Patent
EP1948808Patent
Registry NumbersSources
Reaxys:43513Reaxys
CAS:490-23-3ChemIDplus
CAS:490-23-3KEGG COMPOUND
Citations