CHEBI:15759 - 2,3-epoxyphylloquinone

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ChEBI Name 2,3-epoxyphylloquinone
ChEBI ID CHEBI:15759
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11431, CHEBI:19326, CHEBI:11432, CHEBI:892
Supplier Information No supplier information found for this compound.
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Formula C31H46O3
Net Charge 0
Average Mass 466.706
Monoisotopic Mass 466.34470
InChI InChI=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
InChIKey KUTXFBIHPWIDJQ-HBDFACPTSA-N
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O
Roles Classification
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone KEGG COMPOUND
2,3-epoxyphylloquinone KEGG COMPOUND
2,3-epoxyphylloquinone UniProt
vitamin K1 2,3-epoxide ChEBI
Registry Number Type Source
25486-55-9 CAS Registry Number ChEBI
Citations Types Sources
17101711 PubMed citation Europe PMC
17124179 PubMed citation Europe PMC
25524619 PubMed citation Europe PMC
35411052 PubMed citation Europe PMC
849285 PubMed citation Europe PMC
Last Modified
17 May 2024