Structure Database (LMSD)

Common Name
Coenzyme Q4
Systematic Name
Synonyms
LM ID
LMPR02010003
Status
Active
Exact Mass
Calculate m/z
454.30831
Formula
C29H42O4
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)
XGCJRRDNIMSYNC-INVBOZNNSA-N
InChi (Click to copy)
InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+
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)/C)C(=O)C=1OC

References

Other Databases

HMDB ID
HMDB0006710
CHEBI ID
149479
LIPIDBANK ID
VCQ0003
PubChem CID
5283545

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 511.94
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 7.49
Molar Refractivity 136.78

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Created at
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Updated at
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