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beta-tocotrienol

PropertiesImage
MNX_IDMNXM44182 Image of MNXM44182
referencechebi:33275
formulaC28H42O2
global charge0
mol weight410.642
InChIKeyFGYKUFVNYVMTAM-WAZJVIJMSA-N
InChIInChI=1S/C28H42O2/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/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCC2=C(C)C(O)=CC(C)=C2O1
MNX internals
InChI (mnx)InChI=1/C28H42O2/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/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1 Image of MNXM44182
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:11][CH2:8][CH2:12]/[C:21]([CH3:3])=[CH:13]/[CH2:9][CH2:14]/[C:22]([CH3:4])=[CH:15]/[CH2:10][CH2:17][C@:28]1([CH3:7])[CH2:18][CH2:16][C:25]2=[C:24]([CH3:6])[C:26]([OH:29])=[CH:19][C:23]([CH3:5])=[C:27]2[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:33275
chebi:33275
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-tocotrienol
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
epsilon-tocopherol

kegg.compound:C14154
keggC:C14154
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-Tocotrienol

seed.compound:cpd09853
seedM:cpd09853
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-Tocotrienol
beta-tocotrienol

metacyc.compound:CPD-15837
metacycM:CPD-15837
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-tocotrienol
hmdb:HMDB0304597
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-tocotrienol
(2R)-2,5,8-Trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
Tocotrienol, beta
b-Tocotrienol
beta tocotrienol
epsilon-Tocopherol

lipidmaps:LMPR02020055
lipidmapsM:LMPR02020055
FGYKUFVNYVMTAM-WAZJVIJMSA-N 		beta-tocotrienol
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
2R,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
beta-tocotrienol
epsilon-tocopherol

chebi:35070
keggC:M_C14154
seedM:M_cpd09853 		secondary/obsolete/fantasy identifier