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CHEBI:15759 - 2,3-epoxyphylloquinone

ChEBI IDCHEBI:15759
ChEBI Name2,3-epoxyphylloquinone
Stars
Secondary ChEBI IDsCHEBI:892, CHEBI:11431, CHEBI:11432, CHEBI:19326
Last Modified17 May 2024
DownloadsMolfile
FormulaC31H46O3
Net Charge0
Average Mass466.706
Monoisotopic Mass466.34470
SMILESC/C(=C\CC12OC1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](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/b25-20+/t23-,24-,30?,31?/m1/s1
InChIKeyKUTXFBIHPWIDJQ-HBDFACPTSA-N
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2,3-epoxyphylloquinone (CHEBI:15759) has role rat metabolite (CHEBI:86264)
2,3-epoxyphylloquinone (CHEBI:15759) has role xenobiotic metabolite (CHEBI:76206)
2,3-epoxyphylloquinone (CHEBI:15759) is a epoxide (CHEBI:32955)
2,3-epoxyphylloquinone (CHEBI:15759) is a organic heterotricyclic compound (CHEBI:26979)
2,3-epoxyphylloquinone (CHEBI:15759) is a phylloquinones (CHEBI:26106)
IUPAC Name 
1a-methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Synonyms  Source
2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinoneKEGG COMPOUND
2,3-epoxyphylloquinoneKEGG COMPOUND
vitamin K1 2,3-epoxideChEBI
UniProt Name  Source
2,3-epoxyphylloquinoneUniProt
Registry NumbersSources
CAS:25486-55-9ChEBI
Citations