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CHEBI:84962 - 13-hydroxy-α-tocopherol

Default Structure
ChEBI IDCHEBI:84962
ChEBI Name13-hydroxy-α-tocopherol
Stars
ASCII Name13-hydroxy-alpha-tocopherol
DefinitionA member of the class of chromanols that is (+)-α-tocopherol bearing an additional hydroxy substituent at position 13'.
Last Modified20 April 2015
Submitterlaimo
DownloadsMolfile
FormulaC29H50O3
Net Charge0
Average Mass446.716
Monoisotopic Mass446.37600
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)O2
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
InChIKeyURYLCCKXLNXSRS-XIRVVSDESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (19819327)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13-hydroxy-α-tocopherol (CHEBI:84962) has functional parent (R,R,R)-α-tocopherol (CHEBI:18145)
13-hydroxy-α-tocopherol (CHEBI:84962) has role human metabolite (CHEBI:77746)
13-hydroxy-α-tocopherol (CHEBI:84962) is a chromanol (CHEBI:23229)
13-hydroxy-α-tocopherol (CHEBI:84962) is a phenols (CHEBI:33853)
13-hydroxy-α-tocopherol (CHEBI:84962) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
Synonyms  Source
13'-Hydroxy-alpha-tocopherolHMDB
13-OH-alpha-tocopherolSUBMITTER
2-(13-Hydroxy-4,8,12-trimethyltridecyl)-6-hydroxy-2,5,7,8-tetramethylchromanHMDB
UniProt Name  Source
13-hydroxy-α-tocopherolUniProt
Manual XrefsDatabases
CPD-11960MetaCyc
HMDB0012559HMDB
Citations