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CHEBI:28371 - vitamin K epoxide

ChEBI IDCHEBI:28371
ChEBI Namevitamin K epoxide
Stars
Secondary ChEBI IDsCHEBI:10010, CHEBI:27302
Last Modified27 January 2016
DownloadsMolfile
FormulaC31H46O3
Net Charge0
Average Mass466.706
Monoisotopic Mass466.34470
SMILESCC(=CCC12OC1(C)C(=O)c1ccccc1C2=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C31H46O3/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/h7-8,18-20,22-24H,9-17,21H2,1-6H3
InChIKeyKUTXFBIHPWIDJQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
vitamin K epoxide (CHEBI:28371) has role mouse metabolite (CHEBI:75771)
vitamin K epoxide (CHEBI:28371) is a epoxide (CHEBI:32955)
vitamin K epoxide (CHEBI:28371) is a phytylnaphthoquinone (CHEBI:26127)
IUPAC Name 
1a-methyl-7a-(-3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Synonyms  Source
Vitamin K epoxideKEGG COMPOUND
1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-2,3-EpoxyphylloquinoneKEGG COMPOUND
Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-Phylloquinone oxideKEGG COMPOUND
Phylloquinone, epoxideKEGG COMPOUND
Phylloquinone-2,3-epoxideKEGG COMPOUND
Vitamin K 2,3-epoxideKEGG COMPOUND
Manual XrefsDatabases
C05849KEGG COMPOUND
C16711KEGG COMPOUND
Registry NumbersSources
CAS:25486-55-9KEGG COMPOUND
CAS:25486-55-9ChemIDplus