| Number |
qtl-m1822 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
425.1 |
| Product ions(Q3) |
395.2 |
| Main fragments |
|
| Compound |
alpha-Tocotrienol |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:33270 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
5484296;;45723;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
1721-51-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
alpha-tocotrienol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis.;; |
| DrugBank Database Links |
|
| Formulae |
C29H44O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol;; |
| InChI |
InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1;; |
| InChIKey |
RZFHLOLGZPDCHJ-XZXLULOTSA-N;; |
| IntAct Database Links |
EBI-9818145;; |
| IntEnz Database Links |
EC 2.1.1.95;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPR02020054;; |
| Last Modified |
23 Oct 2015;; |
| Mass |
424.65846;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2010051277;;WO2007136428;;WO2005051294;;US2010105930;;US2007238886;;US2005124687;;US2005065099;;EP2362875;; |
| PubChem Database Links |
11533847;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
24013375;;22252050;;22013739;;20823491;;16923160;;16771695;;12739983;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:38095;; |
| SABIO-RK Database Links |
|
| SMILES |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1;; |
| Secondary ChEBI ID |
CHEBI:35062;; |
| Star |
3;; |
| Synonyms |
zeta1-tocopherol;;delta-alpha-Tocotrienol;;alpha-tocotrienol;;D-alpha-Tocotrienol;;(R)-alpha-tocotrienol;;(2R,3'E,7'E)-alpha-Tocotrienol;;(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZSK1;;Q6ZIK0;; |
| ChEBI Image |
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