alpha-tocotrienol (CHEBI:33270)

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CHEBI:33270 - α-tocotrienol

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ChEBI ID	CHEBI:33270
ChEBI Name	α-tocotrienol
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ASCII Name	alpha-tocotrienol
Definition	A 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 ID	CHEBI:35062
Last Modified	26 July 2021
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C29H44O2
Net Charge	0
Average Mass	424.669
Monoisotopic Mass	424.33413
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChI	InChI=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
InChIKey	RZFHLOLGZPDCHJ-XZXLULOTSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
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. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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.
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
(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-ol	IUPAC
alpha-tocotrienol	LIPID MAPS
alpha-tocotrienol	KEGG COMPOUND
zeta1-tocopherol	LIPID MAPS
α-tocotrienol	ChemIDplus
ζ₁-tocopherol	ChemIDplus

UniProt Name	Source
α-tocotrienol	UniProt

Manual Xrefs	Databases
4445512	ChemSpider
Alpha-Tocotrienol	Wikipedia
C00035044	KNApSAcK
C14153	KEGG COMPOUND
CPD-15836	MetaCyc
EP2362875	Patent
FDB002434	FooDB
HMDB0006327	HMDB
LMPR02020054	LIPID MAPS
US2010105930	Patent
WO2010051277	Patent

Registry Numbers	Sources
Beilstein:45723	Beilstein
Reaxys:5484296	Reaxys
CAS:1721-51-3	ChemIDplus
CAS:1721-51-3	KEGG COMPOUND

Citations