EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46468 - RRR-ALPHA-TOCOPHERYLQUINONE

Default Structure
ChEBI IDCHEBI:46468
ChEBI NameRRR-ALPHA-TOCOPHERYLQUINONE
Stars
Last Modified30 April 2014
DownloadsMolfile
FormulaC29H50O3
Net Charge0
Average Mass446.716
Monoisotopic Mass446.37600
SMILES[H]O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C1=C(C([H])([H])[H])C(=O)C(C([H])([H])[H])=C(C([H])([H])[H])C1=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKeyLTVDFSLWFKLJDQ-IEOSBIPESA-N
Species of MetaboliteComponentSourceComments
Neolitsea daibuensis (IPNI:466954-1) root (BTO:0001188) PubMed (22148193) Cold MeOH extract of dried roots
ChEBI Ontology
Outgoing Relation(s)
RRR-ALPHA-TOCOPHERYLQUINONE (CHEBI:46468) is a organic molecular entity (CHEBI:50860)