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Alpha-tocopheryl quinone

PropertiesImage
MNX_IDMNXM119057 Image of MNXM119057
referencebiggM:CE5022
formulaC29H50O3
global charge0
mol weight446.716
InChIKeyLTVDFSLWFKLJDQ-UHFFFAOYSA-N
InChIInChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3
SMILESCC1=C(C)C(=O)C(CCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C)=C(C)C1=O
MNX internals
InChI (mnx)InChI=1/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21?,22?,29? Image of MNXM119057
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][CH:21]([CH3:3])[CH2:14][CH2:10][CH2:15][CH:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C:29]([CH3:8])([CH2:19][CH2:17][C:26]1=[C:25]([CH3:7])[C:27](=[O:30])[C:23]([CH3:5])=[C:24]([CH3:6])[C:28]1=[O:31])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5022
biggM:CE5022
LTVDFSLWFKLJDQ-UHFFFAOYSA-N 		Alpha-tocopheryl quinone
hmdb:HMDB0034408
LTVDFSLWFKLJDQ-UHFFFAOYSA-N 		alpha-Tocopherolquinone
2 (3-Hydroxy-3,7,11,15-tetramethylhexadecyl)- 3,5,6-trimethyl-1,4-benzoquinone
2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
D 178
Eutrophyl
Ipotensil
Metorena
Tensiopress
Tocopherolquinone
Tocopherylquinone
Tocopherylquinone, ((3R*,7R*,11R*)-(+-))-isomer
Trimina
Vitamin e quinone
Vitapressina
a-Tocopherolquinone
a-Tocopheryl quinone
a-Tocoquinone
alpha-Tocopherol quinone
alpha-Tocopheroquinone
alpha-Tocopheryl quinone
alpha-Tocoquinone
alpha-tocopherolquinone
delta-Tocopherylquinone
gamma-Tocopherylquinone

vmhM:CE5022
vmhmetabolite:CE5022
LTVDFSLWFKLJDQ-UHFFFAOYSA-N 		alpha-tocopheryl quinone
2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

hmdb:HMDB34408
biggM:M_CE5022
vmhM:M_CE5022 		secondary/obsolete/fantasy identifier