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CHEBI:32239 - Tocopheryl nicotinate

ChEBI IDCHEBI:32239
ChEBI NameTocopheryl nicotinate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC35H53NO3
Net Charge0
Average Mass535.813
Monoisotopic Mass535.40254
SMILESCc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
InChIKeyMSCCTZZBYHQMQJ-AZAGJHQNSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
Tocopheryl nicotinate (CHEBI:32239) is a tocol (CHEBI:39437)
Synonyms  Source
Tocopheryl nicotinateKEGG COMPOUND
dl-alpha-Tocopherol nicotinateKEGG COMPOUND
Tocopheryl nicotinateKEGG COMPOUND
alpha-Tocopherol nicotinateDrugCentral
Vitamin E nicotinateDrugCentral
tocopherol nicotinateDrugCentral
Manual XrefsDatabases
C12981KEGG COMPOUND
D01530KEGG DRUG
2689DrugCentral
Registry NumbersSources
CAS:51898-34-1KEGG COMPOUND