CHEBI:139534 - 13'-carboxy-γ-tocotrienol

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ChEBI Name 13'-carboxy-γ-tocotrienol
ChEBI ID CHEBI:139534
ChEBI ASCII Name 13'-carboxy-gamma-tocotrienol
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H40O4
Net Charge 0
Average Mass 440.616
Monoisotopic Mass 440.29266
InChI InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1
InChIKey UJMZKOBSLDXUHY-YQHRJHOASA-N
SMILES C/C(/CC/C=C(\C)/C(O)=O)=C\CC/C(/C)=C/CC[C@]1(C)CCC=2C=C(O)C(C)=C(C)C2O1
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 13'-carboxy-γ-tocotrienol (CHEBI:139534) is a tocotrienol (CHEBI:33235)
IUPAC Name
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
Manual Xref Database
HMDB0012558 HMDB
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Last Modified
29 January 2018