Structure Database (LMSD)

Common Name
Menaquinone-4
Systematic Name
2-methyl-3-((2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)naphthalene-1,4-dione
Synonyms
  • MK-4
  • Menatetrenone
LM ID
LMPR02030042
Status
Active
Exact Mass
Calculate m/z
444.30283
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DKHGMERMDICWDU-GHDNBGIDSA-N
InChi (Click to copy)
InChI=1S/C31H40O2/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/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
SMILES (Click to copy)
C1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(\C)/C)\C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Multiple Dietary Vitamin K Forms Are Converted to Tissue Menaquinone-4 in Mice.,
J Nutr, 2022
Pubmed ID: 34550377
Staphylococcus aureus (#1280)
Bacilli (#91061)
Menaquinone-4 and -5 in a bacterium.,
Biochem J, 1967
Pubmed ID: 6048777

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 2
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 500.42
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 8.92
Molar Refractivity 140.82

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Created at
25th Apr 2022
Updated at
25th Apr 2022