MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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alpha-Tocopherol acetate

	Properties	Image
MNX_ID	MNXM41596
reference	chebi:32321
formula	C₃₁H₅₂O₃
global charge	0
mol weight	472.754
InChIKey	ZAKOWWREFLAJOT-CEFNRUSXSA-N
InChI	InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
SMILES	CC(=O)OC1=C(C)C(C)=C2O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC2=C1C

MNX internals

InChI (mnx)	InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
SMILES (mnx)	[CH3:1][CH:21]([CH3:2])[CH2:13][CH2:10][CH2:14][C@@H:22]([CH3:3])[CH2:15][CH2:11][CH2:16][C@@H:23]([CH3:4])[CH2:17][CH2:12][CH2:19][C@:31]1([CH3:9])[CH2:20][CH2:18][C:28]2=[C:26]([CH3:7])[C:29]([O:33][C:27]([CH3:8])=[O:32])=[C:24]([CH3:5])[C:25]([CH3:6])=[C:30]2[O:34]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32321 chebi:32321 ZAKOWWREFLAJOT-CEFNRUSXSA-N	alpha-Tocopherol acetate (+)-alpha-tocopherol acetate .ALPHA.-TOCOPHEROL ACETATE .ALPHA.-TOCOPHEROL ACETATE, D- .alpha.-tocopherol acetate, dl- D-alpha-Tocopherol acetate Tocopherol acetate Vitamin E acetate alfacol alpha-tocopherol acetate, dl- contopheron
CHEBI:182695 chebi:182695 ZAKOWWREFLAJOT-UHFFFAOYSA-N	DL-alpha-Tocopherol acetate [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
kegg.drug:D01735 keggD:D01735 ZAKOWWREFLAJOT-CEFNRUSXSA-N	Tocopherol acetate (JP18) Vectan (TN)
hmdb:HMDB0034227 ZAKOWWREFLAJOT-UHFFFAOYSA-N	alpha-Tocopherol acetate (+)-alpha -Tocopherol acetate (+)-alpha -Tocopheryl acetate (+)-alpha-Tocopherol acetate (+)-alpha-Tocopheryl acetate (+-)-alpha-Tocopherol acetate (2R,4'r,8'r)-alpha-Tocopherol acetate (2R,4'r,8'r)-alpha-Tocopheryl acetate (R,R,R)-alpha-Tocopheryl acetate 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetic acid 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol Acetate, tocopherol Alfacol Calcium succinate, alpha-tocopheryl Combinal e Contopheron Copherol 1250 Covitol 1100 Covitol 1360 D alpha Tocopherol D alpha Tocopheryl acetate D,L-alpha-Tocopheryl acetate D-Vitamin e acetate D-alpha -Tocopherol acetate D-alpha -Tocopheryl acetate D-alpha Tocopherol D-alpha-Tocopherol acetate D-alpha-Tocopheryl acetate DL-alpha Tocopheryl acetate DL-alpha-Tocopherol acetate DL-alpha-Tocopheryl acetate ECON Ecofrol Ephynal acetate Epsilan-m Erevit Fertilvit Gevex Juvela O-Acetyl-alpha-tocopherol R,R,R-alpha-Tocopherol Rovimix e 50Sd Spondyvit Succinate, tocopherol Syntopherol acetate Tocopherex Tocopherol acetate Tocopherol acetate (JP15) Tocopherol succinate Tocopherol, D-alpha Tocopheryl acetate Tocophrin Tofaxin Tokoferol acetate Vectan Vitamin e acetate Vitamin e acetate DL-form Vitamin e acetate, ((2R(4R,8R))-(+-))-isomer Vitamin e acetate, (2R-(2R(4R,8R)))-isomer Vitamin ealpha acetate a-Tocopherol acetate a-Tocopherol acetic acid all-rac-alpha-Tocopheryl acetate alpha -Tocopherol acetate alpha -Tocopheryl acetate alpha Tocopherol alpha Tocopherol acetate alpha Tocopherol hemisuccinate alpha Tocopherol succinate alpha Tocopheryl calcium succinate alpha-Tocopherol alpha-Tocopherol acetate, all rac alpha-Tocopherol acetic acid alpha-Tocopherol hemisuccinate alpha-Tocopherol succinate alpha-Tocopheryl acetate alpha-Tocopheryl calcium succinate alpha-tocopherol acetate alpha-tocopherol acetic acid e-Ferol e-Toplex e-Vicotrat endo e Dompe tocopheryl acetate
seed.compound:cpd19132 seedM:cpd19132 kegg.compound:C13202 keggC:C13202 ZAKOWWREFLAJOT-CEFNRUSXSA-N	alpha-Tocopherol acetate Tocopherol acetate
hmdb:HMDB34227 keggC:M_C13202 keggD:M_D01735 seedM:M_cpd19132	secondary/obsolete/fantasy identifier