EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175317 - 11'-Carboxy-alpha-tocotrienol

ChEBI IDCHEBI:175317
ChEBI Name11'-Carboxy-alpha-tocotrienol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESC/C(=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\C)CCC(=O)O
InChIInChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1
InChIKeyLAVCYAUSHCEKED-KYVGBUAPSA-N
ChEBI Ontology
Outgoing Relation(s)
11'-Carboxy-alpha-tocotrienol (CHEBI:175317) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4E,8E)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienoic acid
Manual XrefsDatabases
30776618ChemSpider
HMDB0012516HMDB