Structure Database (LMSD)

Common Name
Menaquinone-12
Systematic Name
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenyl]-3-methylnaphthalene-1,4-dione
Synonyms
  • MK-12
LM ID
LMPR02030048
Formula
Exact Mass
Calculate m/z
988.803632
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mammalia (#40674)
Characterization of vitamin K from bovine liver.,
J Lipid Res, 1968
Pubmed ID: 4295867
Agromyces mediolanus (#41986)
Actinomycetes (#1760)
Agromyces mediolanus sp. nov., nom. rev., comb. nov., a species for "Corynebacterium mediolanum" Mamoli 1939 and for some aniline-assimilating bacteria which contain 2,4-diaminobutyric acid in the cell wall peptidoglycan.,
Int J Syst Bacteriol, 1996
Pubmed ID: 8573525

String Representations

InChiKey (Click to copy)
JRQRCGAQNZQEJS-WPPIEQSHSA-N
InChi (Click to copy)
InChI=1S/C71H104O2/c1-54(2)28-17-29-55(3)30-18-31-56(4)32-19-33-57(5)34-20-35-58(6)36-21-37-59(7)38-22-39-60(8)40-23-41-61(9)42-24-43-62(10)44-25-45-63(11)46-26-47-64(12)48-27-49-65(13)52-53-67-66(14)70(72)68-50-15-16-51-69(68)71(67)73/h15-16,28,30,32,34,36,38,40,42,44,46,48,50-52H,17-27,29,31,33,35,37,39,41,43,45,47,49,53H2,1-14H3/b55-30+,56-32+,57-34+,58-36+,59-38+,60-40+,61-42+,62-44+,63-46+,64-48+,65-52+
SMILES (Click to copy)
C1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 73
Rings 2
Aromatic Rings 1
Rotatable Bonds 35
Van der Waals Molecular Volume 1171.30
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 22.73
Molar Refractivity 324.75

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Created at
2nd Jul 2025
Updated at
2nd Jul 2025