Structure Database (LMSD)

O O O O
Common Name
Coenzyme Q10
Systematic Name
Synonyms
  • Ubiquinone-10
LM ID
LMPR02010001
Formula
C59H90O4
Exact Mass
Calculate m/z
862.68391
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
ACTIUHUUMQJHFO-UPTCCGCDSA-N
InChi (Click to copy)
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
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)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C=1OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299
Mus musculus (#10090)
Mammalia (#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
Pubmed ID: 20574076

Other Databases

Wikipedia
Coenzyme_Q10
KEGG ID
C11378
HMDB ID
HMDB0001072
CHEBI ID
46245
LIPIDBANK ID
VCQ0001
PubChem CID
5281915
Cayman ID
11506
PDB ID
U10

Calculated Physicochemical Properties

Heavy Atoms 63
Rings 1
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 1015.10
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 17.85
Molar Refractivity 274.72

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Updated at
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