Structure Database (LMSD)

O O
Common Name
Menaquinone-5
Systematic Name
2-methyl-3-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
Synonyms
  • MK-5
LM ID
LMPR02030043
Formula
C36H48O2
Exact Mass
Calculate m/z
512.36543
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HYPYXGZDOYTYDR-HAJWAVTHSA-N
InChi (Click to copy)
InChI=1S/C36H48O2/c1-26(2)14-10-15-27(3)16-11-17-28(4)18-12-19-29(5)20-13-21-30(6)24-25-32-31(7)35(37)33-22-8-9-23-34(33)36(32)38/h8-9,14,16,18,20,22-24H,10-13,15,17,19,21,25H2,1-7H3/b27-16+,28-18+,29-20+,30-24+
SMILES (Click to copy)
C1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=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
Staphylococcus aureus (#1280)
Bacilli (#91061)
Menaquinone-4 and -5 in a bacterium.,
Biochem J, 1967
Pubmed ID: 6048777

Other Databases

PubChem CID
14009404

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 2
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 584.28
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 10.64
Molar Refractivity 163.82

Admin

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