Structure Database (LMSD)

Common Name
Dihydromenaquinone-8
Systematic Name
2-methyl-3-((2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl)naphthalene-1,4-dione
Synonyms
  • MK-8(H2)
LM ID
LMPR02010039
Status
Active
Exact Mass
Calculate m/z
718.56888
Formula
C51H74O2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Ubiquinones [PR0201]

String Representations

InChiKey (Click to copy)
ROENOAFLUDRPDJ-PPGBVOQZSA-N
InChi (Click to copy)
InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
SMILES (Click to copy)
C1(C/C=C(\C)/CCCC(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

References

Other Databases

CHEBI ID
166696
PubChem CID
6442197

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 2
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 838.50
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.90
Molar Refractivity 232.81

Admin

Created at
-
Updated at
-