CHEBI:135855 - tocofibrate

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ChEBI Name tocofibrate
ChEBI ID CHEBI:135855
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H59ClO4
Net Charge 0
Average Mass 627.338
Monoisotopic Mass 626.41019
InChI InChI=1S/C39H59ClO4/c1-26(2)14-11-15-27(3)16-12-17-28(4)18-13-24-39(10)25-23-34-31(7)35(29(5)30(6)36(34)44-39)42-37(41)38(8,9)43-33-21-19-32(40)20-22-33/h19-22,26-28H,11-18,23-25H2,1-10H3/t27-,28-,39-/m1/s1
InChIKey VPRFDABTJNLKKR-XHZSPPMBSA-N
SMILES CC1=C2C(=C(C(=C1C)OC(C(OC3=CC=C(C=C3)Cl)(C)C)=O)C)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)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 tocofibrate (CHEBI:135855) is a tocol (CHEBI:39437)
Manual Xref Database
2688 DrugCentral
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Registry Number Type Source
50465-39-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017