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beta-tocopherol

PropertiesImage
MNX_IDMNXM4488 Image of MNXM4488
referencechebi:47771
formulaC28H48O2
global charge0
mol weight416.69
InChIKeyWGVKWNUPNGFDFJ-DQCZWYHMSA-N
InChIInChI=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
SMILESCC1=C2O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC2=C(C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4488
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[CH2:11][CH2:8][CH2:12][C@@H:21]([CH3:3])[CH2:13][CH2:9][CH2:14][C@@H:22]([CH3:4])[CH2:15][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)14
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47771
chebi:47771
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		beta-tocopherol
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
(2R,4'R,8'R)-beta-tocopherol
(R,R,R)-beta-tocopherol
5,8-dimethyltocol
RRR-beta-tocopherol
beta-Tocopherol

CHEBI:182172
chebi:182172
WGVKWNUPNGFDFJ-CBIUGAAKSA-N 		(2R)-2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
(2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

bigg.metabolite:bvite
biggM:bvite
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		Beta-Tocopherol

kegg.compound:C14152
keggC:C14152
WGVKWNUPNGFDFJ-CBIUGAAKSA-N 		beta-Tocopherol
hmdb:HMDB0006335
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		beta-Tocopherol
(2R)-2,5,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
(2R,4'r,8'r)-b-Tocopherol
(2R,4'r,8'r)-beta-Tocopherol
(2R,4'r,8'r)-beta-tocopherol
(R,R,R)-b-Tocopherol
(R,R,R)-beta-Tocopherol
(R,R,R)-beta-tocopherol
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12- trimethyltridecyl)-2H-1-benzopyran-6-ol
5,8-Dimethyltocol
Cumotocopherol
DL-beta-Tocopherol
DL-beta-tocopherol
Neotocopherol
RRR-b-Tocopherol
RRR-beta-Tocopherol
RRR-beta-tocopherol
b-Tocopherol
b-Tocopherol skeleton
beta Tocopherol
beta-tocopherol
beta-tocopherol skeleton
p-Xylotocopherol

seed.compound:cpd09851
seedM:cpd09851
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		beta-Tocopherol
5,8-dimethyltocol
beta-tocopherol

vmhM:bvite
vmhmetabolite:bvite
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		beta-tocopherol
(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

metacyc.compound:BETA-TOCOPHEROL
metacycM:BETA-TOCOPHEROL
WGVKWNUPNGFDFJ-DQCZWYHMSA-N 		beta-tocopherol
5,8-dimethyltocol

hmdb:HMDB06335
chebi:22855
chebi:35069
biggM:M_bvite
keggC:M_C14152
seedM:M_cpd09851
vmhM:M_bvite 		secondary/obsolete/fantasy identifier