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CHEBI:31087 - 2-phytyl-1,4-naphthoquinone

ChEBI IDCHEBI:31087
ChEBI Name2-phytyl-1,4-naphthoquinone
Stars
DefinitionA phylloquinone that consists of 1,4-naphthoquinone bearing a phytyl group at position 2.
Last Modified31 January 2017
DownloadsMolfile
FormulaC30H44O2
Net Charge0
Average Mass436.680
Monoisotopic Mass436.33413
SMILESC/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+/t23-,24-/m1/s1
InChIKeyUDYIPZFWVJJQJF-KQPZCCJBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-phytyl-1,4-naphthoquinone (CHEBI:31087) is a phylloquinones (CHEBI:26106)
IUPAC Name 
2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
Synonyms  Source
2-Phytyl-1,4-naphthoquinoneKEGG COMPOUND
DemethylphylloquinoneKEGG COMPOUND
UniProt Name  Source
demethylphylloquinoneUniProt
Manual XrefsDatabases
C13309KEGG COMPOUND
Registry NumbersSources
Reaxys:3159719Reaxys