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(+)-alpha-tocopherol

PropertiesImage
MNX_IDMNXM2741 Image of MNXM2741
referencechebi:18145
formulaC29H50O2
global charge0
mol weight430.717
InChIKeyGVJHHUAWPYXKBD-IEOSBIPESA-N
InChIInChI=1S/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
SMILESCC1=C(O)C(C)=C2CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC2=C1C
MNX internals
InChI (mnx)InChI=1/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 Image of MNXM2741
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][C@@H:21]([CH3:3])[CH2:14][CH2:10][CH2:15][C@@H:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C@:29]1([CH3:8])[CH2:19][CH2:17][C:26]2=[C:25]([CH3:7])[C:27]([OH:30])=[C:23]([CH3:5])[C:24]([CH3:6])=[C:28]2[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-8874706
reactomeM:R-ALL-8874706
reactome:R-ALL-8874708
reactomeM:R-ALL-8874708
CHEBI:18145
chebi:18145
GVJHHUAWPYXKBD-IEOSBIPESA-N 		(+)-alpha-tocopherol
(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
(2R,4'R,8'R)-alpha-tocopherol
(R,R,R)-alpha-tocopherol
(all-R)-alpha-tocopherol
5,7,8-trimethyltocol
RRR-alpha-tocopherol
Vitamin E
alpha-Tocopherol
d-alpha-tocopherol

vmhM:avite1
vmhmetabolite:avite1
GVJHHUAWPYXKBD-IEOSBIPESA-N 		(+)-alpha-tocopherol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

bigg.metabolite:avite1
biggM:avite1
GVJHHUAWPYXKBD-IEOSBIPESA-N 		Alpha-Tocopherol

seed.compound:cpd01628
seedM:cpd01628
GVJHHUAWPYXKBD-IEOSBIPESA-N 		Vitamin E
(2R,4'R,8'R)-alpha-tocopherol
(R,R,R)-alpha-tocopherol
5,7,8-trimethyltocol
alpha-Tocopherol
alpha-tocopherol
hmdb:HMDB0001893
GVJHHUAWPYXKBD-IEOSBIPESA-N 		alpha-Tocopherol
(+)-2R,4'R,8'R-alpha-Tocopherol
(+)-a-Tocopherol
(+)-alpha-Tocopherol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
(2R,4'R,8'R)-alpha-Tocopherol
(2R,4'r,8'r)-a-Tocopherol
(R,R,R)-a-Tocopherol
(R,R,R)-alpha-Tocopherol
(all-R)-alpha-Tocopherol
3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-(2R)-2H-1-benzopyran-6-ol
5,7,8-Trimethyltocol
Almefrol
D-a-Tocopherol
Denamone
Emipherol
Eprolin
Etamican
Evitaminum
Phytogermin
Phytogermine
Profecundin
RRR-alpha-Tocopherol
RRR-alpha-Tocopheryl
VitaE
Vitamin Ealpha
Vitamin e
Vitamin ea
a-D-Tocopherol
a-Tocopherol
alpha-D-Tocopherol
alpha-Vitamin E
alpha-delta-Tocopherol
d-alpha-Tocopherol
delta-alpha-Tocopherol

kegg.compound:C02477
keggC:C02477
GVJHHUAWPYXKBD-IEOSBIPESA-N 		alpha-Tocopherol
Vitamin E

CHEBI:22470
chebi:22470 		alpha-tocopherol
(+-)-alpha-tocopherol
2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol
E 307
E-307
E307
all-rac-alpha-tocopherol
dl-alpha-tocopherol
rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

lipidmaps:LMPR02020001
lipidmapsM:LMPR02020001
GVJHHUAWPYXKBD-IEOSBIPESA-N 		alpha-tocopherol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Vitamin E

metacyc.compound:ALPHA-TOCOPHEROL
metacycM:ALPHA-TOCOPHEROL
GVJHHUAWPYXKBD-IEOSBIPESA-N 		alpha-tocopherol
(2R,4'R,8'R)-alpha-tocopherol
(R,R,R)-alpha-tocopherol
5,7,8-trimethyltocol

hmdb:HMDB01893
chebi:10336
chebi:12343
chebi:46509
biggM:M_avite1
keggC:M_C02477
seedM:M_cpd01628
vmhM:M_avite1 		secondary/obsolete/fantasy identifier