CHEBI:176233 - Tocophersolan

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tocophersolan
ChEBI ID CHEBI:176233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H58O6
Net Charge 0
Average Mass 574.843
Monoisotopic Mass 574.42334
InChI InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
InChIKey AOBORMOPSGHCAX-UHFFFAOYSA-N
SMILES O1C(CCCC(CCCC(CCCC(C)C)C)C)(CCC2=C1C(=C(C(OC(=O)CCC(OCCO)=O)=C2C)C)C)C
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via tocol )
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ChEBI Ontology
Outgoing Tocophersolan (CHEBI:176233) is a tocol (CHEBI:39437)
IUPAC Name
1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate
Manual Xrefs Databases
64498 ChemSpider
D06174 KEGG DRUG
HMDB0034354 HMDB
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