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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:09 UTC

HMDB ID

HMDB0001304

Secondary Accession Numbers

HMDB01304

Metabolite Identification

Common Name

QH2

Description

QH2, also known as COQH2 or ubiquinol, belongs to the class of organic compounds known as ubiquinols. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol moiety to which an isoprenyl group is attached at ring position 2(or 6). QH2 is possibly neutral.

Structure

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

HMDB0001304
     RDKit          3D
QH2
 51 51  0  0  0  0  0  0  0  0999 V2000
   -6.7801    0.1799   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5323    0.1352   -1.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.0854   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.3531   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5430   -2.4125   -0.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962   -1.6127    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788   -2.9973    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5101    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.8062    1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617    0.1612    1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -0.1646    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715   -1.5426    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    0.8790    1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    1.2600   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    0.2018   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4896    0.1556   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3430    1.2007   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -0.9344   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006    0.7592    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7089    1.8607    1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998    1.0013   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0751    2.3011   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338    2.9690   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6983    0.1618    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3289   -0.7415   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3737    1.0611   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251   -2.2963   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257   -3.1582    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -3.6706    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385   -3.2432   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992   -1.7323    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -1.1974    2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    1.2123    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729   -1.6638   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -2.2920    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.6941    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    1.8379    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    0.5664    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.8245   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    2.0405    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.5635   -1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    2.1928   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    0.9276   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    1.1933    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712   -1.6453   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -1.4099   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7683   -0.4511   -2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    2.7956    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363    2.6031   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4554    2.6379   -2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    4.0587   -1.2892 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
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 21  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 17 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 18 47  1  0
 20 48  1  0
 23 49  1  0
 23 50  1  0
 23 51  1  0
M  END

  Mrv1652309042000212D          

 23 23  0  0  0  0            999 V2000
    3.5669  -12.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496  -12.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669  -11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150  -12.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357  -12.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496  -13.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496  -11.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2810  -11.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1289  -12.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357  -11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210  -12.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496  -10.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8394  -12.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244  -11.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070  -12.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534  -12.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8394  -13.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2574  -12.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9632  -12.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732  -12.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722  -13.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3814  -12.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288  -10.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
  7 10  2  0  0  0  0
 16 18  1  0  0  0  0
  1  2  1  0  0  0  0
 18 19  1  0  0  0  0
  1  3  2  0  0  0  0
 19 20  2  0  0  0  0
  1  4  1  0  0  0  0
 20 21  1  0  0  0  0
  2  5  2  0  0  0  0
 20 22  1  0  0  0  0
  2  6  1  0  0  0  0
 14 23  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1  5   4   9  13  16  17
M  SDI   1  4    3.9558  -13.3721    3.9558  -12.2063
M  SDI   1  4    6.9451  -12.1964    6.9451  -13.3721
M  SBL   1  2  18  13
M  SMT   1 n
M  END
> <DATABASE_ID>
HMDB0001304

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C(C)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+

> <INCHI_KEY>
RNUCUWWMTTWKAH-JLHYYAGUSA-N

> <FORMULA>
(C5H8)nC14H20O4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
4.41

> <ALOGPS_LOGS>
-4.41

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.25e-02 g/l

$$$$

HMDB0001304
     RDKit          3D
QH2
 51 51  0  0  0  0  0  0  0  0999 V2000
   -6.7801    0.1799   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5323    0.1352   -1.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.0854   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.3531   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5430   -2.4125   -0.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962   -1.6127    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788   -2.9973    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5101    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.8062    1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617    0.1612    1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -0.1646    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715   -1.5426    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    0.8790    1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    1.2600   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    0.2018   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4896    0.1556   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3430    1.2007   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -0.9344   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006    0.7592    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7089    1.8607    1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998    1.0013   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0751    2.3011   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338    2.9690   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6983    0.1618    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3289   -0.7415   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3737    1.0611   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251   -2.2963   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257   -3.1582    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -3.6706    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385   -3.2432   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992   -1.7323    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -1.1974    2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    1.2123    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729   -1.6638   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -2.2920    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.6941    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    1.8379    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    0.5664    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.8245   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    2.0405    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.5635   -1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    2.1928   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    0.9276   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    1.1933    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712   -1.6453   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -1.4099   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7683   -0.4511   -2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    2.7956    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363    2.6031   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4554    2.6379   -2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    4.0587   -1.2892 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
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 21  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 17 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 18 47  1  0
 20 48  1  0
 23 49  1  0
 23 50  1  0
 23 51  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       6.658 -23.278   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.319 -24.059   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.658 -21.727   0.000  0.00  0.00           C+0
HETATM    4  C     n     1       8.241 -24.046   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.987 -23.278   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.319 -25.597   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.319 -20.951   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.991 -20.951   0.000  0.00  0.00           C+0
HETATM    9  C     n     1       9.574 -23.272   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.987 -21.727   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.653 -24.040   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       5.319 -19.419   0.000  0.00  0.00           O+0
HETATM   13  C     n     1      10.900 -24.040   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.659 -20.951   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.320 -23.265   0.000  0.00  0.00           C+0
HETATM   16  C     n     1      12.233 -23.272   0.000  0.00  0.00           C+0
HETATM   17  C     n     1      10.900 -25.572   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.547 -24.025   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.865 -23.266   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.190 -24.025   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.188 -25.552   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.512 -23.267   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667 -19.424   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    7    8    1                                                  
CONECT    4    9    1                                                       
CONECT    5   10   11    2                                                  
CONECT    6    2                                                            
CONECT    7    3   12   10                                                  
CONECT    8    3                                                            
CONECT    9    4   13                                                       
CONECT   10    5   14    7                                                  
CONECT   11    5   15                                                       
CONECT   12    7                                                            
CONECT   13    9   16   17                                                  
CONECT   14   10   23                                                       
CONECT   15   11                                                            
CONECT   16   13   18                                                       
CONECT   17   13                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   14                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

COMPND    HMDB0001304
HETATM    1  C1  UNL     1      -6.780   0.180  -0.491  1.00  0.00           C  
HETATM    2  O1  UNL     1      -5.532   0.135  -1.128  1.00  0.00           O  
HETATM    3  C2  UNL     1      -4.321  -0.085  -0.494  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.793  -1.353  -0.321  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.543  -2.413  -0.820  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.596  -1.613   0.301  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.079  -2.997   0.466  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.861  -0.510   0.795  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.610  -0.806   1.482  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.462   0.161   1.495  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.710  -0.165   1.119  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.071  -1.543   0.662  1.00  0.00           C  
HETATM   13  C11 UNL     1       2.760   0.879   1.222  1.00  0.00           C  
HETATM   14  C12 UNL     1       3.448   1.260  -0.022  1.00  0.00           C  
HETATM   15  C13 UNL     1       4.157   0.202  -0.755  1.00  0.00           C  
HETATM   16  C14 UNL     1       5.490   0.156  -0.841  1.00  0.00           C  
HETATM   17  C15 UNL     1       6.343   1.201  -0.181  1.00  0.00           C  
HETATM   18  C16 UNL     1       6.167  -0.934  -1.582  1.00  0.00           C  
HETATM   19  C17 UNL     1      -2.401   0.759   0.616  1.00  0.00           C  
HETATM   20  O3  UNL     1      -1.709   1.861   1.086  1.00  0.00           O  
HETATM   21  C18 UNL     1      -3.600   1.001  -0.009  1.00  0.00           C  
HETATM   22  O4  UNL     1      -4.075   2.301  -0.149  1.00  0.00           O  
HETATM   23  C19 UNL     1      -3.734   2.969  -1.375  1.00  0.00           C  
HETATM   24  H1  UNL     1      -6.698   0.162   0.617  1.00  0.00           H  
HETATM   25  H2  UNL     1      -7.329  -0.741  -0.795  1.00  0.00           H  
HETATM   26  H3  UNL     1      -7.374   1.061  -0.746  1.00  0.00           H  
HETATM   27  H4  UNL     1      -5.425  -2.296  -1.287  1.00  0.00           H  
HETATM   28  H5  UNL     1      -1.526  -3.158   1.399  1.00  0.00           H  
HETATM   29  H6  UNL     1      -2.976  -3.671   0.465  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.538  -3.243  -0.462  1.00  0.00           H  
HETATM   31  H8  UNL     1      -0.199  -1.732   0.949  1.00  0.00           H  
HETATM   32  H9  UNL     1      -0.830  -1.197   2.510  1.00  0.00           H  
HETATM   33  H10 UNL     1       0.311   1.212   1.821  1.00  0.00           H  
HETATM   34  H11 UNL     1       1.673  -1.664  -0.356  1.00  0.00           H  
HETATM   35  H12 UNL     1       1.593  -2.292   1.355  1.00  0.00           H  
HETATM   36  H13 UNL     1       3.179  -1.694   0.722  1.00  0.00           H  
HETATM   37  H14 UNL     1       2.323   1.838   1.658  1.00  0.00           H  
HETATM   38  H15 UNL     1       3.473   0.566   2.050  1.00  0.00           H  
HETATM   39  H16 UNL     1       2.729   1.825  -0.658  1.00  0.00           H  
HETATM   40  H17 UNL     1       4.221   2.040   0.267  1.00  0.00           H  
HETATM   41  H18 UNL     1       3.597  -0.564  -1.263  1.00  0.00           H  
HETATM   42  H19 UNL     1       6.195   2.193  -0.602  1.00  0.00           H  
HETATM   43  H20 UNL     1       7.419   0.928  -0.244  1.00  0.00           H  
HETATM   44  H21 UNL     1       6.115   1.193   0.926  1.00  0.00           H  
HETATM   45  H22 UNL     1       5.471  -1.645  -2.035  1.00  0.00           H  
HETATM   46  H23 UNL     1       6.857  -1.410  -0.831  1.00  0.00           H  
HETATM   47  H24 UNL     1       6.768  -0.451  -2.395  1.00  0.00           H  
HETATM   48  H25 UNL     1      -2.032   2.796   1.002  1.00  0.00           H  
HETATM   49  H26 UNL     1      -2.736   2.603  -1.684  1.00  0.00           H  
HETATM   50  H27 UNL     1      -4.455   2.638  -2.169  1.00  0.00           H  
HETATM   51  H28 UNL     1      -3.781   4.059  -1.289  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5    6
CONECT    5   27
CONECT    6    7    8    8
CONECT    7   28   29   30
CONECT    8    9   19
CONECT    9   10   31   32
CONECT   10   11   11   33
CONECT   11   12   13
CONECT   12   34   35   36
CONECT   13   14   37   38
CONECT   14   15   39   40
CONECT   15   16   16   41
CONECT   16   17   18
CONECT   17   42   43   44
CONECT   18   45   46   47
CONECT   19   20   21   21
CONECT   20   48
CONECT   21   22
CONECT   22   23
CONECT   23   49   50   51
END

HMDB0001304
     RDKit          3D
QH2
 51 51  0  0  0  0  0  0  0  0999 V2000
   -6.7801    0.1799   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5323    0.1352   -1.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.0854   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.3531   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5430   -2.4125   -0.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962   -1.6127    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788   -2.9973    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.5101    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.8062    1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617    0.1612    1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -0.1646    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715   -1.5426    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    0.8790    1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    1.2600   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    0.2018   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4896    0.1556   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3430    1.2007   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -0.9344   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4006    0.7592    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7089    1.8607    1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998    1.0013   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0751    2.3011   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338    2.9690   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6983    0.1618    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3289   -0.7415   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3737    1.0611   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251   -2.2963   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257   -3.1582    1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -3.6706    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385   -3.2432   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992   -1.7323    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -1.1974    2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112    1.2123    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729   -1.6638   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -2.2920    1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.6941    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    1.8379    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    0.5664    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.8245   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    2.0405    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.5635   -1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    2.1928   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    0.9276   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    1.1933    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712   -1.6453   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -1.4099   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7683   -0.4511   -2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    2.7956    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363    2.6031   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4554    2.6379   -2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    4.0587   -1.2892 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
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  1  0
 21  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 17 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 18 47  1  0
 20 48  1  0
 23 49  1  0
 23 50  1  0
 23 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
CoQH2	Kegg
Coenzymes QH2	HMDB
Reduced ubiquinone	HMDB
Ubiquinol	HMDB
Ubiquinone-1	HMDB
Coenzyme Q10, reduced	HMDB
Ubiquinol-10	HMDB

Chemical Formula

(C₅H₈)nC₁₄H₂₀O₄

Average Molecular Weight

Not Available

Monoisotopic Molecular Weight

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

56275-39-9

SMILES

COC1=C(O)C(C)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1OC

InChI Identifier

InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+

InChI Key

RNUCUWWMTTWKAH-JLHYYAGUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ubiquinols. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methylbenzene-1,4-diol 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

Ubiquinols

Alternative Parents

Substituents

Ubiquinol skeleton
Aromatic monoterpenoid
Methoxyphenol
Monocyclic monoterpenoid
Monoterpenoid
O-dimethoxybenzene
Dimethoxybenzene
Anisole
Phenoxy compound
Hydroquinone
M-cresol
Methoxybenzene
O-cresol
Phenol ether
Alkyl aryl ether
Phenol
Toluene
Monocyclic benzene moiety
Benzenoid
Ether
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Health effect

Circulatory system disorder

Cardiac disorder

Heart failure (HMDB: HMDB0001304)

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 17482886)

Cellular substructure

Membrane (HMDB: HMDB0001304)
Inner mitochondrial membrane (HMDB: HMDB0001304)
Extracellular (HMDB: HMDB0001304)
Cytoplasm (HMDB: HMDB0001304)
Cell membrane (HMDB: HMDB0001304)

Organelle

Mitochondrion (HMDB: HMDB0001304)

Tissue substructure

Muscle (HMDB: HMDB0001304)

Tissue

Epithelium

Epidermis (HMDB: HMDB0001304)

Muscle tissue

Skeletal muscle (HMDB: HMDB0001304)
Skeletal muscle (HMDB: HMDB0001304)

Organ

Testicle (HMDB: HMDB0001304)
Testicle (HMDB: HMDB0001304)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001304)

Source

Endogenous

Endogenous (HMDB: HMDB0001304)

Animal

Animal (HMDB: HMDB0001304)

Exogenous

Food

Food (HMDB: HMDB0001304)

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Exogenous (HMDB: HMDB0001304)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0001304)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0001304)
TCA Cycle (PathBank: SMP0002414)

Disease pathway

The Oncogenic Action of Succinate (PathBank: SMP0002292)
Glutaminolysis and Cancer (PathBank: SMP0108773)
The Oncogenic Action of Fumarate (PathBank: SMP0002295)

Lipid metabolism pathway (HMDB: HMDB0001304)

Cellular process

Cell signaling (HMDB: HMDB0001304)

Biochemical process

Lipid transport (HMDB: HMDB0001304)

Role

Biological role

Energy source (HMDB: HMDB0001304)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0001304)

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
logP	4.41	ALOGPS
logS	-4.4	ALOGPS
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	181.645	30932474
DeepCCS	[M-H]-	179.287	30932474
DeepCCS	[M-2H]-	213.087	30932474
DeepCCS	[M+Na]+	188.313	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - QH2 GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4r-4193000000-48fe18179b80bb21b5c7	2017-11-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 10V, Positive-QTOF	splash10-00di-0239000000-bbff225e78add9a452cd	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 20V, Positive-QTOF	splash10-05fs-5941000000-9f3d49dffc1fee6bce79	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 40V, Positive-QTOF	splash10-0690-9510000000-6b82f15187f9c07ab964	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 10V, Negative-QTOF	splash10-014i-0009000000-538077b5337d583f80b6	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 20V, Negative-QTOF	splash10-00kb-1195000000-ee266dcd83a76f9e4973	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 40V, Negative-QTOF	splash10-0aba-5390000000-aa9db1cbd8b9e542a924	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 10V, Positive-QTOF	splash10-00di-1229000000-bcae25f8e04aef2f7f2e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 20V, Positive-QTOF	splash10-0002-4971000000-a2a095c9a71f782655e6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 40V, Positive-QTOF	splash10-05pw-6930000000-256eb8fb25dcd7ed3a83	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 10V, Negative-QTOF	splash10-014i-0009000000-0385a0c55ac9f0aa5ed4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 20V, Negative-QTOF	splash10-014i-0559000000-c001cae147213a35d7d5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - QH2 40V, Negative-QTOF	splash10-0kdr-1981000000-d586cd100610d78946f2	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-18	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane
Inner mitochondrial membrane

Biospecimen Locations

Blood

Tissue Locations

Epidermis
Skeletal Muscle
Testis

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	7.4 +/- 2.7 uM	Adult (>18 years old)	Both	Heart failure	17482886	details

Associated Disorders and Diseases

Disease References

Heart failure
Bhagavan HN, Chopra RK: Plasma coenzyme Q10 response to oral ingestion of coenzyme Q10 formulations. Mitochondrion. 2007 Jun;7 Suppl:S78-88. Epub 2007 Mar 27. [PubMed:17482886 ]

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022543

KNApSAcK ID

Not Available

Chemspider ID

4444052

KEGG Compound ID

C00390

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Coenzyme Q10

METLIN ID

6146

PubChem Compound

5280344

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Q10H2

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Shindo Y, Witt E, Han D, Epstein W, Packer L: Enzymic and non-enzymic antioxidants in epidermis and dermis of human skin. J Invest Dermatol. 1994 Jan;102(1):122-4. [PubMed:8288904 ]
Passi S, Grandinetti M, Maggio F, Stancato A, De Luca C: Epidermal oxidative stress in vitiligo. Pigment Cell Res. 1998 Apr;11(2):81-5. [PubMed:9585244 ]
Neuzil J, Stocker R: Free and albumin-bound bilirubin are efficient co-antioxidants for alpha-tocopherol, inhibiting plasma and low density lipoprotein lipid peroxidation. J Biol Chem. 1994 Jun 17;269(24):16712-9. [PubMed:8206992 ]
Mohr D, Umeda Y, Redgrave TG, Stocker R: Antioxidant defenses in rat intestine and mesenteric lymph. Redox Rep. 1999;4(3):79-87. [PubMed:10496410 ]
Kontush A, Spranger T, Reich A, Baum K, Beisiegel U: Lipophilic antioxidants in blood plasma as markers of atherosclerosis: the role of alpha-carotene and gamma-tocopherol. Atherosclerosis. 1999 May;144(1):117-22. [PubMed:10381285 ]
Halliwell B, Hu ML, Louie S, Duvall TR, Tarkington BK, Motchnik P, Cross CE: Interaction of nitrogen dioxide with human plasma. Antioxidant depletion and oxidative damage. FEBS Lett. 1992 Nov 16;313(1):62-6. [PubMed:1426270 ]
Peltola V, Huhtaniemi I, Metsa-Ketela T, Ahotupa M: Induction of lipid peroxidation during steroidogenesis in the rat testis. Endocrinology. 1996 Jan;137(1):105-12. [PubMed:8536600 ]
Miles L, Miles MV, Tang PH, Horn PS, Wong BL, DeGrauw TJ, Morehart PJ, Bove KE: Muscle coenzyme Q: a potential test for mitochondrial activity and redox status. Pediatr Neurol. 2005 May;32(5):318-24. [PubMed:15866432 ]
Lonnrot K, Metsa-Ketela T, Molnar G, Ahonen JP, Latvala M, Peltola J, Pietila T, Alho H: The effect of ascorbate and ubiquinone supplementation on plasma and CSF total antioxidant capacity. Free Radic Biol Med. 1996;21(2):211-7. [PubMed:8818636 ]
Kontush A, Reich A, Baum K, Spranger T, Finckh B, Kohlschutter A, Beisiegel U: Plasma ubiquinol-10 is decreased in patients with hyperlipidaemia. Atherosclerosis. 1997 Feb 28;129(1):119-26. [PubMed:9069526 ]
Hargreaves P, Rahman S, Guthrie P, Taanman JW, Leonard JV, Land JM, Heales SJ: Diagnostic value of succinate ubiquinone reductase activity in the identification of patients with mitochondrial DNA depletion. J Inherit Metab Dis. 2002 Feb;25(1):7-16. [PubMed:12004863 ]

Only showing the first 10 proteins. There are 55 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

Reactions

QH2 + Acceptor → Ubiquinone-2 + Reduced acceptor	details

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

Reactions

Ubiquinone-2 + Succinic acid → QH2 + Fumaric acid	details

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 55 proteins in total.

Show all enzymes and transporters

Showing metabocard for QH2 (HMDB0001304)

MOL for HMDB0001304 (QH2)

3D MOL for HMDB0001304 (QH2)

3D SDF for HMDB0001304 (QH2)

3D-SDF for HMDB0001304 (QH2)

PDB for HMDB0001304 (QH2)

3D PDB for HMDB0001304 (QH2)

SMILES for HMDB0001304 (QH2)

INCHI for HMDB0001304 (QH2)

Structure for HMDB0001304 (QH2)

3D Structure for HMDB0001304 (QH2)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions