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alpha-tocotrienol

PropertiesImage
MNX_IDMNXM10684 Image of MNXM10684
referencechebi:33270
formulaC29H44O2
global charge0
mol weight424.669
InChIKeyRZFHLOLGZPDCHJ-XZXLULOTSA-N
InChIInChI=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
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM10684
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:12][CH2:9][CH2:13]/[C:21]([CH3:3])=[CH:14]/[CH2:10][CH2:15]/[C:22]([CH3:4])=[CH: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)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:33270
chebi:33270
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		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
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		Alpha-Tocotrienol

kegg.compound:C14153
keggC:C14153
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		alpha-Tocotrienol
hmdb:HMDB0006327
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		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-1-benzopyran-6-ol
(2R,3'E,7'e)-alpha-tocotrienol
(2R,3'e,7'e)-alpha-Tocotrienol
(2R,3'e,7'e)-alpha-tocotrienol
(R)-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
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		alpha-Tocotrienol
alpha-tocotrienol

metacyc.compound:CPD-15836
metacycM:CPD-15836
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		alpha-tocotrienol

vmhM:avite2
vmhmetabolite:avite2
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		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

lipidmaps:LMPR02020054
lipidmapsM:LMPR02020054
RZFHLOLGZPDCHJ-XZXLULOTSA-N 		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
vmhM:M_avite2 		secondary/obsolete/fantasy identifier