CHEBI:190931 - (2e,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

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ChEBI Name (2e,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
ChEBI ID CHEBI:190931
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O4
Net Charge 0
Average Mass 426.597
Monoisotopic Mass 426.27701
InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
InChIKey QOFWRHWADNWKSU-LRXIOGKNSA-N
SMILES O1[C@@](CCC2=C1C(=CC(O)=C2)C)(CC/C=C(/CC/C=C(/CC/C=C(\C)/C(O)=O)\C)\C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via tocol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2e,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid (CHEBI:190931) is a tocotrienol (CHEBI:33235)
IUPAC Name
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
Manual Xref Database
8630589 ChemSpider
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