MiMeDB: Showing metabocard for Ubiquinone-2 (MMDBc0030391)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:06:31 UTC

Update Date

2024-04-30 19:46:27 UTC

Metabolite ID

MMDBc0030391

Metabolite Identification

Common Name

Ubiquinone-2

Description

Ubiquinone-2 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-2 has just 2 isoprene units. Normally in E. coli the active form of Ubiquinone has 8 isoprene units (Ubiquinone-8) and in humans it normally has 10. Ubiquinone-2 is a ‚Äúfailed‚Äù or incomplete version of Ubiquinone 8 that arises from conjugation by a shortened prenyl tail via 4-hydroxybenzoate polyprenyltransferase. Ubiquionone is involved in cellular respiration. It is fat-soluble and is therefore mobile in cellular membranes; it plays a unique role in the electron transport chain (ETC). In the inner bacterial membrane, electrons from NADH and succinate pass through the ETC to the oxygen, which is then reduced to water. The transfer of electrons through ETC results in the pumping of H+ across the membrane creating a proton gradient across the membrane, which is used by ATP synthase (located on the membrane) to generate ATP.

Structure

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

HMDB0006709
     RDKit          3D
Ubiquinone-2
 49 49  0  0  0  0  0  0  0  0999 V2000
   -6.4866   -0.7920    1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0209    0.3537    1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    0.3002    0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5150   -0.5337   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.3433   -0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130   -0.7664   -1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.5868   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790   -1.3905   -1.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676    0.2604   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    0.0650   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    0.7822   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.1276   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.3506   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537    0.7932   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    0.2194   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341    0.7972   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    0.0115   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927    0.5895   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -1.4713   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856    1.0826    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    1.9191    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    1.1321    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    1.9318    2.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4955   -1.7011    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4833   -0.5927    2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8034   -1.0006    2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0110   -0.3832   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9501    0.1099   -1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2722   -1.5241   -1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0462    0.2472   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -1.0709   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    1.8532   -0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.8176   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412   -1.6343    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.7700    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6920    1.8840   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.5632    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905    0.4330   -2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -0.8841   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169    1.8583   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250    0.6557    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2982   -0.0774   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    1.5995   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1356   -1.6035    0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -1.9175   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385   -1.9577    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    2.3328    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    2.8651    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    1.4018    1.4926 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  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
  9 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 18 41  1  0
 18 42  1  0
 18 43  1  0
 19 44  1  0
 19 45  1  0
 19 46  1  0
 21 47  1  0
 21 48  1  0
 21 49  1  0
M  END


  Mrv0541 02231220492D          

 23 23  0  0  0  0            999 V2000
   15.4413   -9.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704  -10.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4413   -8.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2992   -9.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704   -7.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704   -8.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2992   -5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847   -6.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847   -7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847   -8.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2992   -5.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1557   -8.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847   -9.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1557   -9.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704   -5.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8704   -9.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0136   -4.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2992   -8.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0136   -3.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2992   -3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7282   -3.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4413  -10.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5847  -11.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030391

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+

> <INCHI_KEY>
SQQWBSBBCSFQGC-JLHYYAGUSA-N

> <FORMULA>
C19H26O4

> <MOLECULAR_WEIGHT>
318.4073

> <EXACT_MASS>
318.18310932

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
36.45225371725543

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
3.75

> <JCHEM_LOGP>
3.878414091

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.718903581971888

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
96.18439999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
coenzyme-Q

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006709
     RDKit          3D
Ubiquinone-2
 49 49  0  0  0  0  0  0  0  0999 V2000
   -6.4866   -0.7920    1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0209    0.3537    1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    0.3002    0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5150   -0.5337   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.3433   -0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130   -0.7664   -1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.5868   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790   -1.3905   -1.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676    0.2604   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    0.0650   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    0.7822   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.1276   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.3506   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537    0.7932   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    0.2194   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341    0.7972   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    0.0115   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927    0.5895   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -1.4713   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856    1.0826    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    1.9191    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    1.1321    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    1.9318    2.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4955   -1.7011    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4833   -0.5927    2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8034   -1.0006    2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0110   -0.3832   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9501    0.1099   -1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2722   -1.5241   -1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0462    0.2472   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -1.0709   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    1.8532   -0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.8176   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412   -1.6343    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.7700    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6920    1.8840   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.5632    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905    0.4330   -2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -0.8841   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169    1.8583   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250    0.6557    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2982   -0.0774   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    1.5995   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1356   -1.6035    0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -1.9175   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385   -1.9577    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    2.3328    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    2.8651    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    1.4018    1.4926 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  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
  9 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 18 41  1  0
 18 42  1  0
 18 43  1  0
 19 44  1  0
 19 45  1  0
 19 46  1  0
 21 47  1  0
 21 48  1  0
 21 49  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      28.824 -18.608   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      31.491 -20.148   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      28.824 -15.528   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      34.159 -18.608   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      31.491 -13.988   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      31.491 -15.528   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      34.159 -10.908   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      32.825 -11.678   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.825 -13.218   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      32.825 -16.298   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.159  -9.368   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      30.157 -16.298   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      32.825 -17.838   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.157 -17.838   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.491 -10.908   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      31.491 -18.608   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      35.492  -8.598   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      34.159 -15.528   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      35.492  -7.058   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      34.159  -6.288   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      36.826  -6.288   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      28.824 -20.148   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      32.825 -20.918   0.000  0.00  0.00           C+0
CONECT    1   14   22                                                       
CONECT    2   16   23                                                       
CONECT    3   12                                                            
CONECT    4   13                                                            
CONECT    5    6    9                                                       
CONECT    6    5   10   12                                                  
CONECT    7    8   11                                                       
CONECT    8    7    9   15                                                  
CONECT    9    5    8                                                       
CONECT   10    6   13   18                                                  
CONECT   11    7   17                                                       
CONECT   12    3    6   14                                                  
CONECT   13    4   10   16                                                  
CONECT   14    1   12   16                                                  
CONECT   15    8                                                            
CONECT   16    2   13   14                                                  
CONECT   17   11   19                                                       
CONECT   18   10                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    1                                                            
CONECT   23    2                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

COMPND    HMDB0006709
HETATM    1  C1  UNL     1      -6.487  -0.792   1.940  1.00  0.00           C  
HETATM    2  O1  UNL     1      -6.021   0.354   1.213  1.00  0.00           O  
HETATM    3  C2  UNL     1      -4.736   0.300   0.679  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.515  -0.534  -0.321  1.00  0.00           C  
HETATM    5  O2  UNL     1      -5.557  -1.343  -0.826  1.00  0.00           O  
HETATM    6  C4  UNL     1      -6.513  -0.766  -1.719  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.181  -0.587  -0.873  1.00  0.00           C  
HETATM    8  O3  UNL     1      -2.979  -1.391  -1.832  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.068   0.260  -0.353  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.816   0.065  -1.041  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.380   0.782  -0.736  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.475   0.128  -0.336  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.362  -1.351  -0.235  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.754   0.793  -0.001  1.00  0.00           C  
HETATM   15  C12 UNL     1       3.801   0.219  -0.964  1.00  0.00           C  
HETATM   16  C13 UNL     1       5.134   0.797  -0.744  1.00  0.00           C  
HETATM   17  C14 UNL     1       6.145   0.012  -0.418  1.00  0.00           C  
HETATM   18  C15 UNL     1       7.493   0.589  -0.194  1.00  0.00           C  
HETATM   19  C16 UNL     1       5.941  -1.471  -0.271  1.00  0.00           C  
HETATM   20  C17 UNL     1      -2.286   1.083   0.633  1.00  0.00           C  
HETATM   21  C18 UNL     1      -1.215   1.919   1.157  1.00  0.00           C  
HETATM   22  C19 UNL     1      -3.662   1.132   1.196  1.00  0.00           C  
HETATM   23  O4  UNL     1      -3.847   1.932   2.145  1.00  0.00           O  
HETATM   24  H1  UNL     1      -6.496  -1.701   1.295  1.00  0.00           H  
HETATM   25  H2  UNL     1      -7.483  -0.593   2.364  1.00  0.00           H  
HETATM   26  H3  UNL     1      -5.803  -1.001   2.791  1.00  0.00           H  
HETATM   27  H4  UNL     1      -6.011  -0.383  -2.626  1.00  0.00           H  
HETATM   28  H5  UNL     1      -6.950   0.110  -1.158  1.00  0.00           H  
HETATM   29  H6  UNL     1      -7.272  -1.524  -1.942  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.046   0.247  -2.148  1.00  0.00           H  
HETATM   31  H8  UNL     1      -0.663  -1.071  -1.066  1.00  0.00           H  
HETATM   32  H9  UNL     1       0.509   1.853  -0.808  1.00  0.00           H  
HETATM   33  H10 UNL     1       1.229  -1.818  -1.217  1.00  0.00           H  
HETATM   34  H11 UNL     1       0.541  -1.634   0.481  1.00  0.00           H  
HETATM   35  H12 UNL     1       2.291  -1.770   0.237  1.00  0.00           H  
HETATM   36  H13 UNL     1       2.692   1.884  -0.186  1.00  0.00           H  
HETATM   37  H14 UNL     1       3.079   0.563   1.017  1.00  0.00           H  
HETATM   38  H15 UNL     1       3.491   0.433  -2.027  1.00  0.00           H  
HETATM   39  H16 UNL     1       3.830  -0.884  -0.882  1.00  0.00           H  
HETATM   40  H17 UNL     1       5.317   1.858  -0.840  1.00  0.00           H  
HETATM   41  H18 UNL     1       7.625   0.656   0.923  1.00  0.00           H  
HETATM   42  H19 UNL     1       8.298  -0.077  -0.613  1.00  0.00           H  
HETATM   43  H20 UNL     1       7.598   1.600  -0.615  1.00  0.00           H  
HETATM   44  H21 UNL     1       5.136  -1.603   0.510  1.00  0.00           H  
HETATM   45  H22 UNL     1       5.607  -1.918  -1.220  1.00  0.00           H  
HETATM   46  H23 UNL     1       6.838  -1.958   0.141  1.00  0.00           H  
HETATM   47  H24 UNL     1      -1.617   2.333   2.151  1.00  0.00           H  
HETATM   48  H25 UNL     1      -1.039   2.865   0.595  1.00  0.00           H  
HETATM   49  H26 UNL     1      -0.302   1.402   1.493  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3
CONECT    3    4    4   22
CONECT    4    5    7
CONECT    5    6
CONECT    6   27   28   29
CONECT    7    8    8    9
CONECT    9   10   20   20
CONECT   10   11   30   31
CONECT   11   12   12   32
CONECT   12   13   14
CONECT   13   33   34   35
CONECT   14   15   36   37
CONECT   15   16   38   39
CONECT   16   17   17   40
CONECT   17   18   19
CONECT   18   41   42   43
CONECT   19   44   45   46
CONECT   20   21   22
CONECT   21   47   48   49
CONECT   22   23   23
END

HMDB0006709
     RDKit          3D
Ubiquinone-2
 49 49  0  0  0  0  0  0  0  0999 V2000
   -6.4866   -0.7920    1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0209    0.3537    1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    0.3002    0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5150   -0.5337   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568   -1.3433   -0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5130   -0.7664   -1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.5868   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790   -1.3905   -1.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676    0.2604   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    0.0650   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    0.7822   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.1276   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.3506   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537    0.7932   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    0.2194   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341    0.7972   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    0.0115   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927    0.5895   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -1.4713   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856    1.0826    0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    1.9191    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    1.1321    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    1.9318    2.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4955   -1.7011    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4833   -0.5927    2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8034   -1.0006    2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0110   -0.3832   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9501    0.1099   -1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2722   -1.5241   -1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0462    0.2472   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -1.0709   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    1.8532   -0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.8176   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412   -1.6343    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.7700    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6920    1.8840   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.5632    1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905    0.4330   -2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -0.8841   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169    1.8583   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250    0.6557    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2982   -0.0774   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    1.5995   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1356   -1.6035    0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -1.9175   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385   -1.9577    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    2.3328    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    2.8651    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    1.4018    1.4926 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  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
  9 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 18 41  1  0
 18 42  1  0
 18 43  1  0
 19 44  1  0
 19 45  1  0
 19 46  1  0
 21 47  1  0
 21 48  1  0
 21 49  1  0
M  END

Synonyms

Value	Source
(e)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone	ChEBI
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone	ChEBI
Ubiquinone 10	ChEBI
Coenzyme Q	Kegg
CoQ	Kegg
Q	Kegg
2,3-Dimethoxy-5-geranyl-6-methyl-1,4-benzoquinone	HMDB
2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl- P-benzoquinone	HMDB
2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione	HMDB
2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5,6-dimethoxy-3-methyl- P-benzoquinone	HMDB
Coenzyme Q2	HMDB
Q 2	HMDB
Ubiquinone 2	HMDB
Ubiquinone Q2	HMDB
Ubiquinone Q2, (e)-isomer	MeSH, HMDB

Molecular Formula

C₁₉H₂₆O₄

Average Mass

318.4073

Monoisotopic Mass

318.18310932

IUPAC Name

2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Traditional Name

coenzyme-Q

CAS Registry Number

606-06-4

SMILES

COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O

InChI Identifier

InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+

InChI Key

SQQWBSBBCSFQGC-JLHYYAGUSA-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:46372 )
ubiquinones (C00399 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.01 g/L	ALOGPS
logP	3.75	ALOGPS
logP	3.88	ChemAxon
logS	-4.5	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	7	ChemAxon
Refractivity	96.18 m³·mol⁻¹	ChemAxon
Polarizability	36.45 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-4394000000-4392d038cb40d1c25736	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0fnj-2940000000-9de99f5e60d85c76bc22	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-00kb-0694000000-0e7666219469e4d3daa4	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0109000000-46935a3400936bee8dab	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-00kb-0694000000-1aa3da1d9a8adf74884c	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0439000000-180eeec0662a1cd541e8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ba-3942000000-6814d10b6c7404b88af9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9410000000-95413a2c0ab148a85d9e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0019000000-f5070dbbdd24c4bc12aa	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-02t9-0296000000-7c0eaf226e5a4866b999	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-9361000000-fff86254a78962e3b850	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0009000000-9c9a5615e70cdf418e9b	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014r-0696000000-31579df78d92b1e7acbf	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0v7r-0491000000-cc67df533d00a14ce722	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014j-0739000000-503861a7af6bafcfa25f	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-3951000000-41b9dda5990696c36275	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a5c-9540000000-b49cb12d9c6d12564ffd	2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191788	NADH-ubiquinone oxidoreductase chain 1	Unknown	P03886	Homo sapiens
MMDBp0191789	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1	Enzyme	O75438	Homo sapiens
MMDBp0191791	NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial	Unknown	O75306	Homo sapiens
MMDBp0191792	Succinate dehydrogenase cytochrome b560 subunit, mitochondrial	Unknown	Q99643	Homo sapiens
MMDBp0191795	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12	Enzyme	Q9UI09	Homo sapiens
MMDBp0191798	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1	Enzyme	O15239	Homo sapiens
MMDBp0191799	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2	Enzyme	Q9NRX3	Homo sapiens
MMDBp0191800	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3	Enzyme	O95167	Homo sapiens
MMDBp0191801	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8	Enzyme	P51970	Homo sapiens
MMDBp0191802	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4	Enzyme	O00483	Homo sapiens
MMDBp0191803	NADH-ubiquinone oxidoreductase chain 4L	Unknown	P03901	Homo sapiens
MMDBp0191804	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	Enzyme	Q86Y39	Homo sapiens
MMDBp0191808	NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial	Unknown	O43181	Homo sapiens
MMDBp0191810	NADH-ubiquinone oxidoreductase chain 5	Unknown	P03915	Homo sapiens
MMDBp0191811	NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial	Unknown	O75489	Homo sapiens
MMDBp0191812	NADH dehydrogenase [ubiquinone] iron-sulfur protein 5	Unknown	O43920	Homo sapiens
MMDBp0191813	NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial	Unknown	P19404	Homo sapiens
MMDBp0191815	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial	Unknown	O95299	Homo sapiens
MMDBp0191816	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6	Enzyme	P56556	Homo sapiens
MMDBp0191820	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4	Enzyme	O95168	Homo sapiens
MMDBp0191821	Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	Unknown	P31040	Homo sapiens
MMDBp0191823	NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial	Unknown	O00217	Homo sapiens
MMDBp0191825	NADH-ubiquinone oxidoreductase chain 2	Unknown	P03891	Homo sapiens
MMDBp0191828	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7	Enzyme	O95182	Homo sapiens
MMDBp0191830	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2	Enzyme	O43678	Homo sapiens
MMDBp0191833	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial	Unknown	P28331	Homo sapiens
MMDBp0191834	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial	Enzyme	O43674	Homo sapiens
MMDBp0191841	NADH dehydrogenase [ubiquinone] 1 subunit C2	Enzyme	O95298	Homo sapiens
MMDBp0191843	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3	Enzyme	O43676	Homo sapiens
MMDBp0191844	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7	Enzyme	P17568	Homo sapiens
MMDBp0191845	Acyl carrier protein, mitochondrial	Enzyme	O14561	Homo sapiens
MMDBp0191846	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5	Enzyme	Q16718	Homo sapiens
MMDBp0191847	Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial	Unknown	Q16134	Homo sapiens
MMDBp0191848	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial	Unknown	Q16795	Homo sapiens
MMDBp0191849	NADH-ubiquinone oxidoreductase chain 4	Unknown	P03905	Homo sapiens
MMDBp0191850	Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial	Unknown	O14521	Homo sapiens
MMDBp0191851	NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial	Unknown	O75251	Homo sapiens
MMDBp0191853	NADH-ubiquinone oxidoreductase chain 3	Unknown	P03897	Homo sapiens
MMDBp0191857	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Unknown	P49821	Homo sapiens
MMDBp0191858	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9	Enzyme	Q9Y6M9	Homo sapiens
MMDBp0191860	NADH-ubiquinone oxidoreductase chain 6	Unknown	P03923	Homo sapiens
MMDBp0191861	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	Enzyme	Q9P0J0	Homo sapiens
MMDBp0191862	NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial	Unknown	O75380	Homo sapiens
MMDBp0191864	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	Unknown	P21912	Homo sapiens
MMDBp0192083	Hexaprenyldihydroxybenzoate methyltransferase, mitochondrial	Unknown	Q9NZJ6	Homo sapiens
MMDBp0192597	Cytochrome b-c1 complex subunit 2, mitochondrial	Unknown	P22695	Homo sapiens
MMDBp0192598	Cytochrome b-c1 complex subunit 9	Unknown	Q9UDW1	Homo sapiens
MMDBp0192599	Cytochrome b-c1 complex subunit 1, mitochondrial	Unknown	P31930	Homo sapiens
MMDBp0192600	Cytochrome b-c1 complex subunit 7	Enzyme	P14927	Homo sapiens
MMDBp0192602	Cytochrome b-c1 complex subunit Rieske, mitochondrial	Enzyme	P47985	Homo sapiens
MMDBp0192603	Cytochrome c1, heme protein, mitochondrial	Unknown	P08574	Homo sapiens
MMDBp0192604	Cytochrome b-c1 complex subunit 6, mitochondrial	Unknown	P07919	Homo sapiens
MMDBp0192712	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial	Enzyme	Q9NX14	Homo sapiens
MMDBp0193481	Cytochrome b-c1 complex subunit 8	Enzyme	O14949	Homo sapiens
MMDBp0193819	Cytochrome b-c1 complex subunit 10	Unknown	O14957	Homo sapiens
MMDBp0196143	NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa	Enzyme	A4D1T5	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0006709

DrugBank ID

DB08690

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB024036

KNApSAcK ID

Not Available

Chemspider ID

4444053

KEGG Compound ID

C00399

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280346

PDB ID

Not Available

ChEBI ID

46372

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Forsmark-Andree P, Lee CP, Dallner G, Ernster L: Lipid peroxidation and changes in the ubiquinone content and the respiratory chain enzymes of submitochondrial particles. Free Radic Biol Med. 1997;22(3):391-400. doi: 10.1016/s0891-5849(96)00330-9. [PubMed:8981030 ]

Showing metabocard for Ubiquinone-2 (MMDBc0030391)

MOL for #<Metabolite:0x0000559d0539e6d8>

3D MOL for #<Metabolite:0x0000559d0539e6d8>

3D SDF for #<Metabolite:0x0000559d0539e6d8>

3D-SDF for #<Metabolite:0x0000559d0539e6d8>

PDB for #<Metabolite:0x0000559d0539e6d8>

3D PDB for #<Metabolite:0x0000559d0539e6d8>

SMILES for #<Metabolite:0x0000559d0539e6d8>

INCHI for #<Metabolite:0x0000559d0539e6d8>

Structure for #<Metabolite:0x0000559d0539e6d8>

3D Structure for #<Metabolite:0x0000559d0539e6d8>