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13'-hydroxy-alpha-tocotrienol

PropertiesImage
MNX_IDMNXM33318 Image of MNXM33318
referencechebi:145208
formulaC29H44O3
global charge0
mol weight440.668
InChIKeyOQCXIVSCFNNFEE-QFLITSPGSA-N
InChIInChI=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
SMILESCC1=C(C)C2=C(CC[C@@](C)(CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CO)O2)C(C)=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM33318
SMILES (mnx)[CH3:1]/[C:20](=[CH:11]\[CH2:8][CH2:12]/[C:21]([CH3:2])=[CH:15]\[CH2:10][CH2:17][C@:29]1([CH3:7])[CH2:18][CH2:16][C:26]2=[C:25]([CH3:6])[C:27]([OH:31])=[C:23]([CH3:4])[C:24]([CH3:5])=[C:28]2[O:32]1)[CH2:13][CH2:9]/[CH:14]=[C:22](/[CH3:3])[CH2:19][OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE7144
biggM:CE7144
CHEBI:145208
chebi:145208
OQCXIVSCFNNFEE-QFLITSPGSA-N 		13'-hydroxy-alpha-tocotrienol
hmdb:HMDB0012560
OQCXIVSCFNNFEE-QFLITSPGSA-N 		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

vmhM:CE7144
vmhmetabolite:CE7144
OQCXIVSCFNNFEE-QFLITSPGSA-N 		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-2H-1-benzopyran-6-ol

hmdb:HMDB12560
biggM:M_CE7144
vmhM:M_CE7144 		secondary/obsolete/fantasy identifier