Structure Database (LMSD)

Common Name
Vitamin K2
Systematic Name
Synonyms
  • Vitamin K2
  • menaquinone-6
LM ID
LMPR02030001
Formula
C41H56O2
Exact Mass
Calculate m/z
580.428031
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

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
Brassica oleracea (#3712)
Magnoliopsida (#3398)
Phylloquinone (vitamin K1) content of vegetables,
J Food Comp Anal, 2005
Homo sapiens (#9606)
Mammalia (#40674)
Measurement of vitamin K in human liver by gradient elution high-performance liquid chromatography using platinum-black catalyst reduction and fluorimetric detection.,
J Chromatogr, 1989
Pubmed ID: 2753953

String Representations

InChiKey (Click to copy)
PFRQBZFETXBLTP-RCIYGOBDSA-N
InChi (Click to copy)
InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+
SMILES (Click to copy)
C1(=O)C(C)=C(C/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)C2C=CC=CC1=2

Other Databases

Wikipedia
Vitamin_K2
LIPIDBANK ID
VVK0001
PubChem CID
5283547

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 668.14
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.37
Molar Refractivity 186.81

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Created at
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Updated at
5th Apr 2022