Structure Database (LMSD)

Common Name
Coenzyme Q6
Systematic Name
Synonyms
LM ID
LMPR02010002
Status
Active
Exact Mass
Calculate m/z
590.43351
Formula
C39H58O4
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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)
GXNFPEOUKFOTKY-LPHQIWJTSA-N
InChi (Click to copy)
InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
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)/C)C(=O)C=1OC

References

Other Databases

KEGG ID
C17568
HMDB ID
HMDB06709
CHEBI ID
52971
LIPIDBANK ID
VCQ0002
PubChem CID
5283544

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 1
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 679.66
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 10.95
Molar Refractivity 182.76

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Created at
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Updated at
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