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CHEBI:18067 - phylloquinone

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ChEBI Name phylloquinone
ChEBI ID CHEBI:18067
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11611, CHEBI:45148, CHEBI:8181, CHEBI:14833, CHEBI:26105
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Formula C31H46O2
Net Charge 0
Average Mass 450.69570
Monoisotopic Mass 450.350
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
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
vitamin
An organic substance that is distributed in foodstuffs, is distinct from the main organic components of food (protein, carbohydrate and fat) and is needed for the normal nutrition of the organism in question. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phylloquinone (CHEBI:18067) has role cofactor (CHEBI:23357)
phylloquinone (CHEBI:18067) has role human metabolite (CHEBI:77746)
phylloquinone (CHEBI:18067) has role plant metabolite (CHEBI:76924)
phylloquinone (CHEBI:18067) has role vitamin (CHEBI:33229)
phylloquinone (CHEBI:18067) is a phylloquinones (CHEBI:26106)
Incoming vitamin K (CHEBI:28384) has part phylloquinone (CHEBI:18067)
IUPAC Name
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
INNs Sources
fitomenadiona ChemIDplus
phytomenadionum ChemIDplus
Synonyms Sources
2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione ChemIDplus
2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone NIST Chemistry WebBook
2-Methyl-3-phytyl-1,4-naphthochinon ChemIDplus
2-Methyl-3-phytyl-1,4-naphthoquinone KEGG COMPOUND
3-Phytylmenadione ChemIDplus
α-phylloquinone NIST Chemistry WebBook
Phyllochinon ChemIDplus
Phyllochinonum ChemIDplus
Phylloquinone KEGG COMPOUND
PHYLLOQUINONE PDBeChem
phylloquinone UniProt
Phytomenadione ChemIDplus
Phytonadione KEGG COMPOUND
Phytonadionum ChemIDplus
Phytylmenadione ChemIDplus
trans-Phylloquinone NIST Chemistry WebBook
Vitamin K1 KEGG COMPOUND
Database Links Databases
C00002868 KNApSAcK
C02059 KEGG COMPOUND
D00148 KEGG DRUG
DB01022 DrugBank
HMDB03555 HMDB
Phytonadione Wikipedia
PQN PDBeChem
View more database links
Registry Numbers Types Sources
2568816 Reaxys Registry Number Reaxys
84-80-0 CAS Registry Number KEGG COMPOUND
84-80-0 CAS Registry Number ChemIDplus
84-80-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11003724 PubMed citation Europe PMC
15686525 PubMed citation Europe PMC
19588895 PubMed citation Europe PMC
19996170 PubMed citation Europe PMC
21169510 PubMed citation Europe PMC
21645693 PubMed citation Europe PMC
21844348 PubMed citation Europe PMC
21914559 PubMed citation Europe PMC
Last Modified
23 October 2015