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CHEBI:18067 - phylloquinone

ChEBI IDCHEBI:18067
ChEBI Namephylloquinone
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:8181, CHEBI:11611, CHEBI:14833, CHEBI:26105, CHEBI:45148
Last Modified26 July 2021
DownloadsMolfile

FormulaC31H46O2
Net Charge0
Average Mass450.707
Monoisotopic Mass450.34978
SMILESCC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
InChIInChI=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
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1038/nbt.2488)
blood plasma (BTO:0000118) PubMed (7657478)
Roles Classification

ChEBI Ontology
IUPAC Name 
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
INNs  Source
phytomenadionum  laWHO MedNet
phytomenadioneWHO MedNet
fitomenadiona  esWHO MedNet
phytoménadione  frWHO MedNet
Synonyms  Source
PhylloquinoneKEGG COMPOUND
Vitamin K1KEGG COMPOUND
phytonadioneKEGG COMPOUND
2-methyl-3-phytyl-1,4-naphthoquinoneKEGG COMPOUND
PHYLLOQUINONEPDBeChem
3-phytylmenadioneChemIDplus
Brand Name  Source
MephytonKEGG DRUG
UniProt Name  Source
phylloquinoneUniProt
Manual XrefsDatabases
C02059KEGG COMPOUND
PQNPDBeChem
PhytomenadioneWikipedia
HMDB0003555HMDB
DB01022DrugBank
C00002868KNApSAcK
D00148KEGG DRUG
2-METHYL-3-PHYTYL-14-NAPHTHOQUINONEMetaCyc
4447652ChemSpider
2843DrugCentral
LMPR02030028LIPID MAPS
Registry NumbersSources
Reaxys:2568816Reaxys
CAS:84-80-0KEGG COMPOUND
CAS:84-80-0ChemIDplus
CAS:84-80-0NIST Chemistry WebBook
Citations