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CHEBI:90152 - 2,3-epoxymenatetrenone

ChEBI IDCHEBI:90152
ChEBI Name2,3-epoxymenatetrenone
Stars
DefinitionA member of the class of tetralins obtained by formal epoxidation across the 2,3-double bond of menatetrenone.
Last Modified30 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC31H40O3
Net Charge0
Average Mass460.658
Monoisotopic Mass460.29775
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC12OC1(C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C31H40O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
InChIKeyTUZHANAISKEZFG-GHDNBGIDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (20953171)
Rattus norvegicus (ncbitaxon:10116) - PubMed (24085302)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2,3-epoxymenatetrenone (CHEBI:90152) has functional parent menaquinone-4 (CHEBI:78277)
2,3-epoxymenatetrenone (CHEBI:90152) has role human metabolite (CHEBI:77746)
2,3-epoxymenatetrenone (CHEBI:90152) has role rat metabolite (CHEBI:86264)
2,3-epoxymenatetrenone (CHEBI:90152) is a aromatic ketone (CHEBI:76224)
2,3-epoxymenatetrenone (CHEBI:90152) is a diketone (CHEBI:46640)
2,3-epoxymenatetrenone (CHEBI:90152) is a epoxide (CHEBI:32955)
2,3-epoxymenatetrenone (CHEBI:90152) is a olefinic compound (CHEBI:78840)
2,3-epoxymenatetrenone (CHEBI:90152) is a tetralins (CHEBI:36786)
IUPAC Name 
1a-methyl-7a-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Synonyms  Source
2,3-epoxymenaquinone-4ChEBI
menaquinone-4 epoxideChEBI
menatetrenone epoxideChEBI
menatetrenone 2,3-epoxideChEBI
menaquinone-4 2,3-epoxideChEBI
Registry NumbersSources
Reaxys:8173479Reaxys
Citations