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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (56) Show 56 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 14:17:32 UTC

Update Date

2020-10-09 21:02:16 UTC

HMDB ID

HMDB0002012

Secondary Accession Numbers

HMDB02012

Metabolite Identification

Common Name

Ubiquinone-1

Description

Ubiquinone-1 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-1 has just 1 isoprene unit. Normally in humans it has 10. Ubiquinone-1 is an intermediate in the synthesis of Ubiquionone 10, which is also called Coenzyme Q (CoQ). CoQ is found in the membranes of endoplasmic reticulum, peroxisomes, lysosomes, vesicles and notably the inner membrane of the mitochondrion where it is an important part of the electron transport chain; there it passes reducing equivalents to acceptors such as Coenzyme Q : cytochrome c - oxidoreductase. CoQ is also essential in the formation of the apoptosome along with other adapter proteins. The loss of trophic factors activates pro-apoptotic enzymes, causing the breakdown of mitochondria. Because of its ability to transfer electrons and therefore act as an antioxidant, Coenzyme Q has become a valued dietary supplement. CoQ10 has been widely used for the treatment of heart disease (especially heart failure), gum diseases, and also breast cancer. The benzoquinone portion of Coenzyme Q10 is synthesized from amino acids, while the isoprene sidechain is synthesized from acetyl CoA through the mevalonate pathway. The mevalonate pathway is used for the first steps of cholesterol biosynthesis.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0002012
     RDKit          3D
Ubiquinone-1
 36 36  0  0  0  0  0  0  0  0999 V2000
   -4.6627    1.1859   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9246    0.1691    0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5595    0.2674    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.1556   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.0599   -1.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -1.3911   -2.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.2597   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    0.1465   -1.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.4861    0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    0.5905    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -0.6541    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085   -0.6509   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    0.5899   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421   -1.9418   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981    0.5985    1.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815    0.8242    3.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.4970    1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061    0.6031    2.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7382    0.9550   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    1.2973   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472    2.1657    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -2.0963   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088   -1.6638   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3463   -1.4667   -3.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1162    1.4362    0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.7506    1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.5825    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    0.3981   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    1.3501   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.9949   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140   -1.7490   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733   -2.5541    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981   -2.4779   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.0779    3.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    0.9403    3.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7372    1.7043    3.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
  9 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17  3  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  6 22  1  0
  6 23  1  0
  6 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 14 32  1  0
 14 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END


  Mrv0541 02231219192D          

 18 18  0  0  0  0            999 V2000
   16.1425   -7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5716   -8.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1425   -5.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0005   -7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5716   -5.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1425   -8.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2860   -8.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5716   -3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0005   -3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0005   -5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2860   -3.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2860   -4.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8570   -6.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2860   -7.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8570   -7.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5716   -7.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5716   -5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2860   -6.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002012

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

> <INCHI_KEY>
SOECUQMRSRVZQQ-UHFFFAOYSA-N

> <FORMULA>
C14H18O4

> <MOLECULAR_WEIGHT>
250.2903

> <EXACT_MASS>
250.120509064

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
26.944539108013224

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.218699816000001

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.718903579766058

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
72.3818

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ubiquinone-1

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002012
     RDKit          3D
Ubiquinone-1
 36 36  0  0  0  0  0  0  0  0999 V2000
   -4.6627    1.1859   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9246    0.1691    0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5595    0.2674    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.1556   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.0599   -1.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -1.3911   -2.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.2597   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    0.1465   -1.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.4861    0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    0.5905    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -0.6541    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085   -0.6509   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    0.5899   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421   -1.9418   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981    0.5985    1.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815    0.8242    3.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.4970    1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061    0.6031    2.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7382    0.9550   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    1.2973   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472    2.1657    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -2.0963   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088   -1.6638   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3463   -1.4667   -3.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1162    1.4362    0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.7506    1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.5825    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    0.3981   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    1.3501   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.9949   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140   -1.7490   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733   -2.5541    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981   -2.4779   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.0779    3.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    0.9403    3.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7372    1.7043    3.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
  9 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17  3  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  6 22  1  0
  6 23  1  0
  6 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 14 32  1  0
 14 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      30.133 -13.988   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      32.800 -15.528   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      30.133 -10.908   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      35.468 -13.988   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      32.800  -9.368   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.133 -15.528   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      34.134 -16.298   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      32.800  -6.288   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      35.468  -6.288   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      35.468 -10.908   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.134  -7.058   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.134  -8.598   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.466 -11.678   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      34.134 -13.218   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.466 -13.218   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      32.800 -13.988   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.800 -10.908   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      34.134 -11.678   0.000  0.00  0.00           C+0
CONECT    1    6   15                                                       
CONECT    2    7   16                                                       
CONECT    3   13                                                            
CONECT    4   14                                                            
CONECT    5   12   17                                                       
CONECT    6    1                                                            
CONECT    7    2                                                            
CONECT    8   11                                                            
CONECT    9   11                                                            
CONECT   10   18                                                            
CONECT   11    8    9   12                                                  
CONECT   12    5   11                                                       
CONECT   13    3   15   17                                                  
CONECT   14    4   16   18                                                  
CONECT   15    1   13   16                                                  
CONECT   16    2   14   15                                                  
CONECT   17    5   13   18                                                  
CONECT   18   10   14   17                                                  
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0002012
HETATM    1  C1  UNL     1      -4.663   1.186  -0.481  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.925   0.169   0.188  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.560   0.267   0.340  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.770   0.156  -0.710  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.362  -0.060  -1.945  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.812  -1.391  -2.207  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.300   0.260  -0.558  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.413   0.147  -1.588  1.00  0.00           O  
HETATM    9  C6  UNL     1       0.287   0.486   0.751  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.728   0.591   0.929  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.390  -0.654   0.472  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.308  -0.651  -0.468  1.00  0.00           C  
HETATM   13  C10 UNL     1       3.759   0.590  -1.147  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.942  -1.942  -0.889  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.498   0.598   1.805  1.00  0.00           C  
HETATM   16  C13 UNL     1       0.081   0.824   3.112  1.00  0.00           C  
HETATM   17  C14 UNL     1      -1.953   0.497   1.664  1.00  0.00           C  
HETATM   18  O4  UNL     1      -2.706   0.603   2.663  1.00  0.00           O  
HETATM   19  H1  UNL     1      -5.738   0.955  -0.517  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.228   1.297  -1.506  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.547   2.166   0.029  1.00  0.00           H  
HETATM   22  H4  UNL     1      -1.968  -2.096  -2.160  1.00  0.00           H  
HETATM   23  H5  UNL     1      -3.509  -1.664  -1.370  1.00  0.00           H  
HETATM   24  H6  UNL     1      -3.346  -1.467  -3.166  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.116   1.436   0.294  1.00  0.00           H  
HETATM   26  H8  UNL     1       2.056   0.751   1.971  1.00  0.00           H  
HETATM   27  H9  UNL     1       2.102  -1.582   0.932  1.00  0.00           H  
HETATM   28  H10 UNL     1       4.659   0.398  -1.771  1.00  0.00           H  
HETATM   29  H11 UNL     1       4.039   1.350  -0.362  1.00  0.00           H  
HETATM   30  H12 UNL     1       3.000   0.995  -1.818  1.00  0.00           H  
HETATM   31  H13 UNL     1       4.914  -1.749  -1.370  1.00  0.00           H  
HETATM   32  H14 UNL     1       4.073  -2.554   0.027  1.00  0.00           H  
HETATM   33  H15 UNL     1       3.298  -2.478  -1.614  1.00  0.00           H  
HETATM   34  H16 UNL     1       0.692  -0.078   3.397  1.00  0.00           H  
HETATM   35  H17 UNL     1      -0.710   0.940   3.876  1.00  0.00           H  
HETATM   36  H18 UNL     1       0.737   1.704   3.200  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5    7
CONECT    5    6
CONECT    6   22   23   24
CONECT    7    8    8    9
CONECT    9   10   15   15
CONECT   10   11   25   26
CONECT   11   12   12   27
CONECT   12   13   14
CONECT   13   28   29   30
CONECT   14   31   32   33
CONECT   15   16   17
CONECT   16   34   35   36
CONECT   17   18   18
END

HMDB0002012
     RDKit          3D
Ubiquinone-1
 36 36  0  0  0  0  0  0  0  0999 V2000
   -4.6627    1.1859   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9246    0.1691    0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5595    0.2674    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.1556   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.0599   -1.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -1.3911   -2.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.2597   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133    0.1465   -1.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.4861    0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    0.5905    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -0.6541    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085   -0.6509   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    0.5899   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421   -1.9418   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981    0.5985    1.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815    0.8242    3.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.4970    1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061    0.6031    2.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7382    0.9550   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    1.2973   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472    2.1657    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -2.0963   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088   -1.6638   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3463   -1.4667   -3.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1162    1.4362    0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    0.7506    1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.5825    0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    0.3981   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    1.3501   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.9949   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140   -1.7490   -1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733   -2.5541    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981   -2.4779   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.0779    3.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    0.9403    3.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7372    1.7043    3.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
  9 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17  3  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  6 22  1  0
  6 23  1  0
  6 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 14 32  1  0
 14 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione	ChEBI
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinone	ChEBI
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone	ChEBI
Coenzyme Q1	ChEBI
Coenzyme Q5	ChEBI
CoQ1	ChEBI
Ubiquinone Q1	ChEBI
Ubiquinone-Q1	HMDB
Ubiquionone 1	HMDB
Ubiquinone 5	HMDB

Chemical Formula

C₁₄H₁₈O₄

Average Molecular Weight

250.2903

Monoisotopic Molecular Weight

250.120509064

IUPAC Name

2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Traditional Name

ubiquinone-1

CAS Registry Number

727-81-1

SMILES

COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O

InChI Identifier

InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

InChI Key

SOECUQMRSRVZQQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Ubiquinones

Alternative Parents

Substituents

Ubiquinone skeleton
Monoterpenoid
Monocyclic monoterpenoid
Quinone
P-benzoquinone
Vinylogous ester
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

ubiquinones (CHEBI:46234 )
a ubiquinone (CPD0-1118 )

Ontology

Physiological effect

Health effect

Nervous system disorder

Central nervous system disorder

Multiple sclerosis (HMDB: HMDB0002012)

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 10609336)

Cellular substructure

Cell

Fibroblast

Fibroblast (HMDB: HMDB0002012)

Hematocyte

Platelet (HMDB: HMDB0002012)

Tissue substructure

Muscle (HMDB: HMDB0002012)

Organ

Tissue

Muscle tissue

Skeletal muscle (HMDB: HMDB0002012)
Skeletal muscle (HMDB: HMDB0002012)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0002012)

Source

Exogenous

Exogenous (HMDB: HMDB0002012)

Food

Food (HMDB: HMDB0002012)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Endogenous

Endogenous (HMDB: HMDB0002012)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0002012)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0002012)
Glycerol Metabolism II (PathBank: SMP0121310)
Glycerol Metabolism III (sn-Glycero-3-Phosphoethanolamine) (PathBank: SMP0121311)
Glycerol Metabolism IV (Glycerophosphoglycerol) (PathBank: SMP0121312)
Pyrimidine Metabolism (PathBank: SMP0121324)
Proline Metabolism (PathBank: SMP0121276)
Oxidative Phosphorylation (PathBank: SMP0121314)
Proline Metabolism (PathBank: SMP0002297)
Pyrimidine Metabolism (PathBank: SMP0002370)
TCA Cycle (PathBank: SMP0121269)
Glycerol Metabolism (PathBank: SMP0121309)
Glycerol Metabolism V (Glycerophosphoserine) (PathBank: SMP0121313)
Ubiquinone Biosynthesis (HMDB: HMDB0002012)

Lipid metabolism pathway (HMDB: HMDB0002012)

Cellular process

Cell signaling (HMDB: HMDB0002012)

Biochemical process

Lipid transport (HMDB: HMDB0002012)

Role

Biological role

Energy source (HMDB: HMDB0002012)

Industrial application

Manufacturing industry

Material processing agent

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0002012)

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0002012)

Biomarker

Multiple sclerosis (MarkerDB: MDB00000364)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.24 g/L	ALOGPS
logP	2.2	ALOGPS
logP	2.22	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	72.38 m³·mol⁻¹	ChemAxon
Polarizability	26.94 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	160.961	31661259
DarkChem	[M-H]-	162.433	31661259
DeepCCS	[M+H]+	163.511	30932474
DeepCCS	[M-H]-	161.153	30932474
DeepCCS	[M-2H]-	194.039	30932474
DeepCCS	[M+Na]+	169.604	30932474
AllCCS	[M+H]+	157.5	32859911
AllCCS	[M+H-H2O]+	153.9	32859911
AllCCS	[M+NH4]+	160.8	32859911
AllCCS	[M+Na]+	161.8	32859911
AllCCS	[M-H]-	162.1	32859911
AllCCS	[M+Na-2H]-	162.6	32859911
AllCCS	[M+HCOO]-	163.3	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	7.26 minutes	32390414
Predicted by Siyang on May 30, 2022	14.1115 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	0.73 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2493.0 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	379.2 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	180.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	195.1 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	46.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	500.2 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	578.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	113.8 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	1184.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	516.8 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1242.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	277.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	370.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	292.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	338.4 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	9.0 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ubiquinone-1	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O	2488.3	Standard polar	33892256
Ubiquinone-1	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O	1670.5	Standard non polar	33892256
Ubiquinone-1	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O	1799.8	Semi standard non polar	33892256

Spectra

Biological Properties

Cellular Locations

Membrane (predicted from logP)

Biospecimen Locations

Blood

Tissue Locations

Brain
Fibroblasts
Intestine
Leukocyte
Liver
Neuron
Pancreas
Platelet
Prostate
Skeletal Muscle

Pathways

Name	SMPDB/PathBank	KEGG
Ubiquinone Biosynthesis

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.00312 +/- 0.00032 uM	Adult (>18 years old)	Both	Normal	10609336	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.00084 +/- 0.00040 uM	Adult (>18 years old)	Both	Multiple sclerosis	10609336	details

Associated Disorders and Diseases

Disease References

Multiple sclerosis
Syburra C, Passi S: Oxidative stress in patients with multiple sclerosis. Ukr Biokhim Zh (1999). 1999 May-Jun;71(3):112-5. [PubMed:10609336 ]

Associated OMIM IDs

126200 (Multiple sclerosis)

External Links

DrugBank ID

DB08689

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022794

KNApSAcK ID

Not Available

Chemspider ID

4307

KEGG Compound ID

C00399

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6435

PubChem Compound

4462

PDB ID

Not Available

ChEBI ID

46234

Food Biomarker Ontology

Not Available

VMH ID

Q10

MarkerDB ID

MDB00000364

Good Scents ID

Not Available

References

Synthesis Reference

Naruta, Yoshinori; Maruyama, Kazuhiro. . Ubiquinone-1. Organic Syntheses (1993), 71 125-32.

Material Safety Data Sheet (MSDS)

Not Available

General References

Pastore A, Giovamberardino GD, Bertini E, Tozzi G, Gaeta LM, Federici G, Piemonte F: Simultaneous determination of ubiquinol and ubiquinone in skeletal muscle of pediatric patients. Anal Biochem. 2005 Jul 15;342(2):352-5. Epub 2005 Mar 7. [PubMed:15989930 ]
Karlsson J, Lin L, Gunnes S, Sylven C, Astrom H: Muscle ubiquinone in male effort angina patients. Mol Cell Biochem. 1996 Mar 23;156(2):173-8. [PubMed:9095475 ]
Passi S, Stancato A, Aleo E, Dmitrieva A, Littarru GP: Statins lower plasma and lymphocyte ubiquinol/ubiquinone without affecting other antioxidants and PUFA. Biofactors. 2003;18(1-4):113-24. [PubMed:14695926 ]
Karlsson J, Lin L, Sylven C, Jansson E: Muscle ubiquinone in healthy physically active males. Mol Cell Biochem. 1996 Mar 23;156(2):169-72. [PubMed:9095474 ]
Laaksonen R, Jokelainen K, Sahi T, Tikkanen MJ, Himberg JJ: Decreases in serum ubiquinone concentrations do not result in reduced levels in muscle tissue during short-term simvastatin treatment in humans. Clin Pharmacol Ther. 1995 Jan;57(1):62-6. [PubMed:7828383 ]
Zhang Y, Eriksson M, Dallner G, Appelkvist EL: Analysis of ubiquinone and tocopherol levels in normal and hyperlipidemic human plasma. Lipids. 1998 Aug;33(8):811-5. [PubMed:9727612 ]
Edlund C, Soderberg M, Kristensson K, Dallner G: Ubiquinone, dolichol, and cholesterol metabolism in aging and Alzheimer's disease. Biochem Cell Biol. 1992 Jun;70(6):422-8. [PubMed:1449707 ]
Elmberger PG, Kalen A, Brunk UT, Dallner G: Discharge of newly-synthesized dolichol and ubiquinone with lipoproteins to rat liver perfusate and to the bile. Lipids. 1989 Nov;24(11):919-30. [PubMed:2615561 ]
Yamashita S, Yamamoto Y: Simultaneous detection of ubiquinol and ubiquinone in human plasma as a marker of oxidative stress. Anal Biochem. 1997 Jul 15;250(1):66-73. [PubMed:9234900 ]
Mancini A, Conte G, Milardi D, De Marinis L, Littarru GP: Relationship between sperm cell ubiquinone and seminal parameters in subjects with and without varicocele. Andrologia. 1998 Feb-Mar;30(1):1-4. [PubMed:9567163 ]

Only showing the first 10 proteins. There are 56 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. NADH-ubiquinone oxidoreductase chain 1

General function:: Involved in oxidation reduction
Specific function:: Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:: MT-ND1
Uniprot ID:: P03886
Molecular weight:: 35660.055

Enzyme Details

2. NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1

General function:: Involved in NADH dehydrogenase activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFB1
Uniprot ID:: O75438
Molecular weight:: 6961.2

Enzyme Details

3. NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial

General function:: Involved in oxidoreductase activity, acting on NADH or NADPH
Specific function:: Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity).
Gene Name:: NDUFS2
Uniprot ID:: O75306
Molecular weight:: 51851.59

Enzyme Details

4. Succinate dehydrogenase cytochrome b560 subunit, mitochondrial

General function:: Involved in succinate dehydrogenase activity
Specific function:: Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
Gene Name:: SDHC
Uniprot ID:: Q99643
Molecular weight:: 16650.185

Enzyme Details

5. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12

General function:: Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFA12
Uniprot ID:: Q9UI09
Molecular weight:: 17114.4

Enzyme Details

6. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1

General function:: Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFA1
Uniprot ID:: O15239
Molecular weight:: 8072.3

Enzyme Details

7. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2

General function:: Not Available
Specific function:: Not Available
Gene Name:: NDUFA4L2
Uniprot ID:: Q9NRX3
Molecular weight:: 9965.6

Enzyme Details

8. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3

General function:: Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFA3
Uniprot ID:: O95167
Molecular weight:: 9278.8

Enzyme Details

9. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

General function:: Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFA8
Uniprot ID:: P51970
Molecular weight:: 20104.9

Enzyme Details

10. NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4

General function:: Involved in NADH dehydrogenase (ubiquinone) activity
Specific function:: Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone
Gene Name:: NDUFA4
Uniprot ID:: O00483
Molecular weight:: 9369.8

Only showing the first 10 proteins. There are 56 proteins in total.

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Showing metabocard for Ubiquinone-1 (HMDB0002012)

MOL for HMDB0002012 (Ubiquinone-1)

3D MOL for HMDB0002012 (Ubiquinone-1)

3D SDF for HMDB0002012 (Ubiquinone-1)

3D-SDF for HMDB0002012 (Ubiquinone-1)

PDB for HMDB0002012 (Ubiquinone-1)

3D PDB for HMDB0002012 (Ubiquinone-1)

SMILES for HMDB0002012 (Ubiquinone-1)

INCHI for HMDB0002012 (Ubiquinone-1)

Structure for HMDB0002012 (Ubiquinone-1)

3D Structure for HMDB0002012 (Ubiquinone-1)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Enzymes