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

ChEBI IDCHEBI:139534
ChEBI Name13'-carboxy-γ-tocotrienol
Stars
ASCII Name13'-carboxy-gamma-tocotrienol
Last Modified29 January 2018
SubmitterKeeva
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESC/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)O
InChIInChI=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
InChIKeyUJMZKOBSLDXUHY-YQHRJHOASA-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)
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 XrefsDatabases
HMDB0012558HMDB