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CHEBI:139535 - 13'-carboxy-α-tocotrienol

ChEBI IDCHEBI:139535
ChEBI Name13'-carboxy-α-tocotrienol
Stars
ASCII Name13'-carboxy-alpha-tocotrienol
Last Modified29 January 2018
SubmitterKeeva
DownloadsMolfile
FormulaC29H42O4
Net Charge0
Average Mass454.651
Monoisotopic Mass454.30831
SMILESC/C(=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(/C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/b19-11-,20-14-,21-15+/t29-/m1/s1
InChIKeyCBMCFKYSTHHHCC-QZDMETRGSA-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-α-tocotrienol (CHEBI:139535) is a tocotrienol (CHEBI:33235)
IUPAC Name 
(2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
Manual XrefsDatabases
HMDB0012556HMDB