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13'-hydroxy-alpha-tocotrienol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33318

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₂₉H₄₄O₃

charge

mass

440.32905

reference

chebi:145208

InChIKey

OQCXIVSCFNNFEE-QFLITSPGSA-N

InChI

InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1

SMILES

C/C(=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE7144 biggM:CE7144 CHEBI:145208 chebi:145208	13'-hydroxy-alpha-tocotrienol
hmdb:HMDB0012560	13'-Hydroxy-alpha-tocotrienol (2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-6-ol (2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol 13'-Hydroxy-a-tocotrienol 13ohaTE
hmdb:HMDB12560 biggM:M_CE7144	secondary/obsolete/fantasy identifier