loading...| Preferred Name |
beta-tocopherol |
|
| Synonyms |
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol beta-tocopherol beta-Tocopherol (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol RRR-beta-tocopherol (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol 5,8-dimethyltocol (2R,4'R,8'R)-beta-tocopherol (R,R,R)-beta-tocopherol β-tocopherol |
|
| Definitions |
A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_47771 |
|
| charge |
0 |
|
| definition |
A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. |
|
| formula |
C28H48O2 |
|
| hasAlternativeId |
CHEBI:35069 CHEBI:22855 |
|
| hasDbXref |
Reaxys:93070 KNApSAcK:C00007364 MetaCyc:BETA-TOCOPHEROL PMID:19339706 PMCID:PMC7258573 KEGG:C14152 Patent:ES2232276 CAS:16698-35-4 AGR:IND607266641 AGR:IND606272494 PMID:19717743 Chemspider:5256784 PMID:16771430 PMID:20357932 Wikipedia:Beta-Tocopherol AGR:IND43831641 PMID:23997325 PMID:27694009 PMID:16746572 PMID:9920007 PMID:22168240 PMID:19710160 HMDB:HMDB0006335 AGR:IND43673672 PMID:11390183 PMID:5158483 PMID:9043639 CAS:148-03-8 LIPID_MAPS_instance:LMPR02020059 Beilstein:93070 PMID:262184 FooDB:FDB012381 |
|
| hasExactSynonym |
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol beta-tocopherol beta-Tocopherol |
|
| hasOBONamespace |
chebi_ontology |
|
| hasRelatedSynonym |
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol RRR-beta-tocopherol (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol 5,8-dimethyltocol (2R,4'R,8'R)-beta-tocopherol (R,R,R)-beta-tocopherol β-tocopherol |
|
| id |
CHEBI:47771 |
|
| inchi |
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1 |
|
| inchikey |
WGVKWNUPNGFDFJ-DQCZWYHMSA-N |
|
| inSubset | ||
| label |
beta-tocopherol |
|
| mass |
416.67952 |
|
| monoisotopicmass |
416.36543 |
|
| notation |
CHEBI:47771 |
|
| prefLabel |
beta-tocopherol |
|
| smiles |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |
|
| subClassOf |