Structure Database (LMSD)

Common Name
Menaquinone-7
Systematic Name
2-methyl-3-((2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)naphthalene-1,4-dione
Synonyms
  • MK-7
LM ID
LMPR02030041
Formula
C46H64O2
Exact Mass
Calculate m/z
648.49063
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin K [PR0203]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Prosthecochloris vibrioformis (#1098)
Chlorobiia (#191410)
Isolation and identification of menaquinone-9 from purified nitrate reductase of Escherichia coli.,
J Bacteriol, 1995
Pubmed ID: 7601837

String Representations

InChiKey (Click to copy)
RAKQPZMEYJZGPI-LJWNYQGCSA-N
InChi (Click to copy)
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
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)/C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

Other Databases

CHEBI ID
44245
PubChem CID
5287554
PDB ID
MQ7

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 2
Aromatic Rings 1
Rotatable Bonds 20
Van der Waals Molecular Volume 752.00
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 14.10
Molar Refractivity 209.80

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