Structure Database (LMSD)

Common Name
Coenzyme Q8
Systematic Name
Synonyms
LM ID
LMPR02010005
Status
Active
Exact Mass
Calculate m/z
726.55871
Formula
C49H74O4
Show lipids differing only in stereochemistry/bond geometry
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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)
ICFIZJQGJAJRSU-SGHXUWJISA-N
InChi (Click to copy)
InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
SMILES (Click to copy)
C1(OC)C(=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)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C=1OC

References

Other Databases

KEGG ID
C17569
HMDB ID
HMDB06709
CHEBI ID
61683
LIPIDBANK ID
VCQ0005
PubChem CID
5283546

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 847.38
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 14.40
Molar Refractivity 228.74

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Created at
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Updated at
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