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alpha-tocotrienol

Properties

Image

Occurences in reactions

MNX_ID

MNXM10684

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	10

formula

C₂₉H₄₄O₂

charge

mass

424.33413

reference

chebi:33270

InChIKey

RZFHLOLGZPDCHJ-XZXLULOTSA-N

InChI

InChI=1S/C29H44O2/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/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:33270 chebi:33270	alpha-tocotrienol (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol zeta1-tocopherol
bigg.metabolite:avite2 biggM:avite2	Alpha-Tocotrienol
kegg.compound:C14153 keggC:C14153	alpha-Tocotrienol
hmdb:HMDB0006327	alpha-Tocotrienol (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R,3'E,7'E)-alpha-Tocotrienol (R)-alpha-Tocotrienol 5,7,8-Trimethyltocotrienol Tocotrienol, alpha a-Tocotrienol alpha tocotrienol alpha-tocotrienol zeta1-Tocopherol zeta1-tocopherol
seed.compound:cpd09852 seedM:cpd09852	alpha-Tocotrienol alpha-tocotrienol
metacyc.compound:CPD-15836 metacycM:CPD-15836	alpha-tocotrienol
lipidmaps:LMPR02020054 lipidmapsM:LMPR02020054	alpha-tocotrienol 2R,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol alpha-tocotrienol zeta1-tocopherol
hmdb:HMDB06327 chebi:35062 biggM:M_avite2 keggC:M_C14153 seedM:M_cpd09852	secondary/obsolete/fantasy identifier