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CHEBI:33270 - α-tocotrienol

ChEBI IDCHEBI:33270
ChEBI Nameα-tocotrienol
Stars
ASCII Namealpha-tocotrienol
DefinitionA tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis.
Secondary ChEBI IDCHEBI:35062
Last Modified26 July 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC29H44O2
Net Charge0
Average Mass424.669
Monoisotopic Mass424.33413
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C29H44O2/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/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
InChIKeyRZFHLOLGZPDCHJ-XZXLULOTSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1038/nbt.2488)
blood (UBERON:0000178) PubMed (12739983)
Panax ginseng (ncbitaxon:4054) - MetaboLights (MTBLS350) From MetaboLights
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:
ferroptosis inhibitor  Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
α-tocotrienol (CHEBI:33270) has role ferroptosis inhibitor (CHEBI:173084)
α-tocotrienol (CHEBI:33270) has role human metabolite (CHEBI:77746)
α-tocotrienol (CHEBI:33270) has role neuroprotective agent (CHEBI:63726)
α-tocotrienol (CHEBI:33270) has role plant metabolite (CHEBI:76924)
α-tocotrienol (CHEBI:33270) is a tocotrienol (CHEBI:33235)
α-tocotrienol (CHEBI:33270) is a vitamin E (CHEBI:33234)
IUPAC Name 
(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms  Source
α-tocotrienolChemIDplus
ζ1-tocopherolChemIDplus
alpha-tocotrienolLIPID MAPS
(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-olIUPAC
zeta1-tocopherolLIPID MAPS
alpha-tocotrienolKEGG COMPOUND
UniProt Name  Source
α-tocotrienolUniProt
Manual XrefsDatabases
C14153KEGG COMPOUND
LMPR02020054LIPID MAPS
HMDB0006327HMDB
EP2362875Patent
WO2010051277Patent
US2010105930Patent
CPD-15836MetaCyc
Alpha-TocotrienolWikipedia
4445512ChemSpider
FDB002434FooDB
C00035044KNApSAcK
Registry NumbersSources
Beilstein:45723Beilstein
Reaxys:5484296Reaxys
CAS:1721-51-3ChemIDplus
CAS:1721-51-3KEGG COMPOUND
Citations