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CHEBI:182695 - DL-alpha-Tocopherol acetate

ChEBI IDCHEBI:182695
ChEBI NameDL-alpha-Tocopherol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O3
Net Charge0
Average Mass472.754
Monoisotopic Mass472.39165
SMILESCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChIKeyZAKOWWREFLAJOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
DL-alpha-Tocopherol acetate (CHEBI:182695) is a tocol (CHEBI:39437)
IUPAC Name 
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
Manual XrefsDatabases
2033ChemSpider
HMDB0034227HMDB
D01735KEGG DRUG
Registry NumbersSources
CAS:52225-20-4ChemIDplus