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phylloquinone

Go to external page http://purl.obolibrary.org/obo/CHEBI_18067

A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.

Term info

Label

phylloquinone

Synonyms
  • 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
  • PHYLLOQUINONE
  • Phylloquinone
  • phylloquinone
database cross reference
Subsets

3_STAR

INN
phytomenadionum [ ChemIDplus ]

IUPAC NAME
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione [ IUPAC ]

INN
fitomenadiona [ ChemIDplus ]

charge

0

formula

C31H46O2

has alternative id

CHEBI:8181, CHEBI:26105, CHEBI:45148, CHEBI:11611, CHEBI:14833

has obo namespace

chebi_ontology

has related synonym

Phyllochinonum, alpha-phylloquinone, Phytomenadione, Vitamin K1, 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone, 2-Methyl-3-phytyl-1,4-naphthochinon, Phytonadionum, 3-Phytylmenadione, phytomenadionum, 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione, Phyllochinon, Phytylmenadione, trans-Phylloquinone, 2-Methyl-3-phytyl-1,4-naphthoquinone, fitomenadiona, Phytonadione

id

CHEBI:18067

inchi

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

inchikey

MBWXNTAXLNYFJB-NKFFZRIASA-N

mass

450.69570

monoisotopicmass

450.34978

smiles

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O