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13-hydroxy-alpha-tocopherol

PropertiesImage
MNX_IDMNXM9688 Image of MNXM9688
referencechebi:84962
formulaC29H50O3
global charge0
mol weight446.716
InChIKeyURYLCCKXLNXSRS-XIRVVSDESA-N
InChIInChI=1S/C29H50O3/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/h20-22,30-31H,8-19H2,1-7H3/t20-,21+,22?,29+/m0/s1
SMILESCC1=C(O)C(C)=C2CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)OC2=C1C
MNX internals
InChI (mnx)InChI=1/C29H50O3/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/h20-22,30-31H,8-19H2,1-7H3/t20-,21+,22?,29+/m0/s1 Image of MNXM9688
SMILES (mnx)[CH3:1][C@@H:20]([CH2:11][CH2:8][CH2:12][C@@H:21]([CH3:2])[CH2:15][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][CH2:14][CH:22]([CH3:3])[CH2:19][OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84962
chebi:84962
URYLCCKXLNXSRS-XIRVVSDESA-N 		13-hydroxy-alpha-tocopherol
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-alpha-tocopherol
13-OH-alpha-tocopherol
2-(13-Hydroxy-4,8,12-trimethyltridecyl)-6-hydroxy-2,5,7,8-tetramethylchroman
hmdb:HMDB0012559
URYLCCKXLNXSRS-XIRVVSDESA-N 		13'-Hydroxy-alpha-tocopherol
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-6-ol
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-a-tocopherol
13-Hydroxy-a-tocopherol
13-Hydroxy-alpha-tocopherol
13-OH-a-Tocopherol
13-OH-alpha-Tocopherol
13-OH-alpha-tocopherol

seed.compound:cpd23161
seedM:cpd23161
URYLCCKXLNXSRS-UHFFFAOYSA-N 		13'-OH-alpha-tocopherol
13'-hydroxy-alpha-tocopherol

bigg.metabolite:CE5842
biggM:CE5842
URYLCCKXLNXSRS-XIRVVSDESA-N 		13'-hydroxy-alpha-tocopherol

metacyc.compound:CPD-11960
metacycM:CPD-11960
URYLCCKXLNXSRS-UHFFFAOYSA-N 		13'-hydroxy-alpha-tocopherol
13'-OH-alpha-tocopherol

lipidmaps:LMPR02020075
lipidmapsM:LMPR02020075
URYLCCKXLNXSRS-XIRVVSDESA-N 		13'hydroxy-alpha-tocopherol
13'-hydroxychromanol
2-(13-hydroxy-4,8,12-trimethyltridecyl)-6-hydroxy-2,5,7,8-tetramethylchroman

vmhM:CE5842
vmhmetabolite:CE5842
URYLCCKXLNXSRS-XIRVVSDESA-N 		13-hydroxy-alpha-tocopherol
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol

hmdb:HMDB12559
biggM:M_CE5842
seedM:M_cpd23161
vmhM:M_CE5842 		secondary/obsolete/fantasy identifier