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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phytyl-1,4-naphthoquinone
ChEBI ID CHEBI:31087
Definition A phylloquinone that consists of 1,4-naphthoquinone bearing a phytyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H44O2
Net Charge 0
Average Mass 436.66916
Monoisotopic Mass 436.33413
InChI InChI=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
InChIKey UDYIPZFWVJJQJF-KQPZCCJBSA-N
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=CC(=O)c2ccccc2C1=O
ChEBI Ontology
Outgoing 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 Sources
2-Phytyl-1,4-naphthoquinone KEGG COMPOUND
demethylphylloquinone UniProt
Demethylphylloquinone KEGG COMPOUND
Manual Xref Database
C13309 KEGG COMPOUND
View more database links
Registry Number Type Source
3159719 Reaxys Registry Number Reaxys
Last Modified
31 January 2017