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Showing metabocard for 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (HMDB0060251)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-09 21:13:32 UTC
Update Date2022-03-07 03:17:42 UTC
HMDB IDHMDB0060251
Secondary Accession Numbers
  • HMDB60251
Metabolite Identification
Common Name2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
Description2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone, also known as 5-demethoxyubiquinone-10, belongs to the class of organic compounds known as polyprenylbenzoquinones. Polyprenylbenzoquinones are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Thus, 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone is considered to be a quinone lipid molecule. 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Data?1563866035
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

  Mrv0541 05091314132D          

 61 61  0  0  0  0            999 V2000
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M  END
Download

3D MOL for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

HMDB0060251
     RDKit          3D
2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
149149  0  0  0  0  0  0  0  0999 V2000
  -19.2822    2.4060    1.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7569    1.5129    0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9643    1.8651   -0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -17.1771    3.4067   -2.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2681    4.5528   -2.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9729   -1.7188   -0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6325   -0.5629    0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -4.1755   -1.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940   -2.8438   -1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -3.5859   -0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7513   -3.8176    0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746   -3.1848   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193   -2.5183    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1748   -1.6258    1.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -0.1166   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2910   -0.6720    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5892   -2.1664    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075   -1.3352    2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3838    1.5868    0.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231    1.2321   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7105   -0.3708   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8020   -0.4014   -0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271    1.8953   -2.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7362    1.0572    0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0484    0.8185    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8479   -0.4102   -0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5436    3.2764   -1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    2.8789   -2.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883    0.8304   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    0.9154   -3.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4886    2.8058   -4.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8785    0.5141   -1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6806    1.9908   -0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9227    1.7837   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5507    3.5349   -3.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0785    3.8444   -2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7833    2.7260   -3.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6594    1.3756   -4.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1729    0.6654   -1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6043    2.9735   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0336    3.6937   -2.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8667    2.4423   -3.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7399    1.7778    0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7311    0.3705   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4680   -0.5477   -1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5252    0.9189   -1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5868    0.2549    1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1202   -2.1027    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8217   -1.8194    1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7597   -2.4583   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3601   -2.3810   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0287   -3.6633   -0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
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 59149  1  0
M  END
Download

3D SDF for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

  Mrv0541 05091314132D          

 61 61  0  0  0  0            999 V2000
  -15.7184   22.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   22.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   20.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0039   21.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   18.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   16.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0039   21.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   19.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   16.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 14  1  0  0  0  0
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 37 21  1  0  0  0  0
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 40 22  1  0  0  0  0
 42 41  1  0  0  0  0
 44  1  1  0  0  0  0
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 61 13  1  0  0  0  0
 61 57  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060251

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+

> <INCHI_KEY>
DLBRMPAESNEOJM-RGIWONJESA-N

> <FORMULA>
C58H88O3

> <MOLECULAR_WEIGHT>
833.3175

> <EXACT_MASS>
832.673346682

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
108.60043046406913

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
10.02

> <JCHEM_LOGP>
17.561958583000003

> <ALOGPS_LOGS>
-6.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.941732563557345

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
279.8866000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.14e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

HMDB0060251
     RDKit          3D
2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
149149  0  0  0  0  0  0  0  0999 V2000
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M  END
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PDB for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

HEADER    PROTEIN                                 09-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-MAY-13         0                                  
HETATM    1  C   UNK     0     -29.341  41.580   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -26.674  41.580   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -24.006  36.960   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -21.339  32.340   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -18.672  27.720   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -16.004  23.100   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -13.337  18.480   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -10.669  13.860   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -26.674  38.500   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -24.006  33.880   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -21.339  29.260   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -18.672  24.640   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -16.004  20.020   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -13.337  15.400   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -10.669  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -28.007  39.270   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -26.674  36.960   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -25.340  34.650   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -24.006  32.340   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -22.673  30.030   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -21.339  27.720   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -20.005  25.410   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -18.672  23.100   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -17.338  20.790   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -16.004  18.480   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -14.671  16.170   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -13.337  13.860   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -12.003  11.550   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     -28.007  40.810   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -25.340  36.190   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -22.673  31.570   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -20.005  26.950   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -17.338  22.330   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -14.671  17.710   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0     -12.003  13.090   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1   44                                                            
CONECT    2   44                                                            
CONECT    3   45                                                            
CONECT    4   46                                                            
CONECT    5   47                                                            
CONECT    6   48                                                            
CONECT    7   49                                                            
CONECT    8   50                                                            
CONECT    9   51                                                            
CONECT   10   52                                                            
CONECT   11   53                                                            
CONECT   12   54                                                            
CONECT   13   61                                                            
CONECT   14   23   24                                                       
CONECT   15   25   26                                                       
CONECT   16   27   28                                                       
CONECT   17   29   30                                                       
CONECT   18   31   32                                                       
CONECT   19   33   34                                                       
CONECT   20   35   36                                                       
CONECT   21   37   38                                                       
CONECT   22   39   40                                                       
CONECT   23   14   44                                                       
CONECT   24   14   45                                                       
CONECT   25   15   45                                                       
CONECT   26   15   46                                                       
CONECT   27   16   46                                                       
CONECT   28   16   47                                                       
CONECT   29   17   47                                                       
CONECT   30   17   48                                                       
CONECT   31   18   48                                                       
CONECT   32   18   49                                                       
CONECT   33   19   49                                                       
CONECT   34   19   50                                                       
CONECT   35   20   50                                                       
CONECT   36   20   51                                                       
CONECT   37   21   51                                                       
CONECT   38   21   52                                                       
CONECT   39   22   52                                                       
CONECT   40   22   53                                                       
CONECT   41   42   53                                                       
CONECT   42   41   55                                                       
CONECT   43   56   57                                                       
CONECT   44    1    2   23                                                  
CONECT   45    3   24   25                                                  
CONECT   46    4   26   27                                                  
CONECT   47    5   28   29                                                  
CONECT   48    6   30   31                                                  
CONECT   49    7   32   33                                                  
CONECT   50    8   34   35                                                  
CONECT   51    9   36   37                                                  
CONECT   52   10   38   39                                                  
CONECT   53   11   40   41                                                  
CONECT   54   12   55   56                                                  
CONECT   55   42   54   58                                                  
CONECT   56   43   54   59                                                  
CONECT   57   43   58   61                                                  
CONECT   58   55   57   60                                                  
CONECT   59   56                                                            
CONECT   60   58                                                            
CONECT   61   13   57                                                       
MASTER        0    0    0    0    0    0    0    0   61    0  122    0
END
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3D PDB for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

COMPND    HMDB0060251
HETATM    1  C1  UNL     1     -19.282   2.406   1.509  1.00  0.00           C  
HETATM    2  O1  UNL     1     -18.757   1.513   0.562  1.00  0.00           O  
HETATM    3  C2  UNL     1     -17.964   1.865  -0.515  1.00  0.00           C  
HETATM    4  C3  UNL     1     -18.018   3.048  -1.121  1.00  0.00           C  
HETATM    5  C4  UNL     1     -17.177   3.407  -2.257  1.00  0.00           C  
HETATM    6  O2  UNL     1     -17.268   4.553  -2.802  1.00  0.00           O  
HETATM    7  C5  UNL     1     -16.212   2.413  -2.769  1.00  0.00           C  
HETATM    8  C6  UNL     1     -15.370   2.791  -3.908  1.00  0.00           C  
HETATM    9  C7  UNL     1     -16.123   1.228  -2.201  1.00  0.00           C  
HETATM   10  C8  UNL     1     -15.155   0.231  -2.719  1.00  0.00           C  
HETATM   11  C9  UNL     1     -14.210  -0.112  -1.635  1.00  0.00           C  
HETATM   12  C10 UNL     1     -14.080  -1.316  -1.142  1.00  0.00           C  
HETATM   13  C11 UNL     1     -14.872  -2.465  -1.622  1.00  0.00           C  
HETATM   14  C12 UNL     1     -13.103  -1.626  -0.040  1.00  0.00           C  
HETATM   15  C13 UNL     1     -12.263  -0.436   0.345  1.00  0.00           C  
HETATM   16  C14 UNL     1     -11.436  -0.917   1.530  1.00  0.00           C  
HETATM   17  C15 UNL     1     -11.393  -0.191   2.631  1.00  0.00           C  
HETATM   18  C16 UNL     1     -12.185   1.103   2.637  1.00  0.00           C  
HETATM   19  C17 UNL     1     -10.690  -0.581   3.833  1.00  0.00           C  
HETATM   20  C18 UNL     1      -9.976  -1.859   3.780  1.00  0.00           C  
HETATM   21  C19 UNL     1      -8.811  -1.892   2.896  1.00  0.00           C  
HETATM   22  C20 UNL     1      -7.597  -2.262   3.373  1.00  0.00           C  
HETATM   23  C21 UNL     1      -7.556  -2.619   4.834  1.00  0.00           C  
HETATM   24  C22 UNL     1      -6.353  -2.373   2.579  1.00  0.00           C  
HETATM   25  C23 UNL     1      -5.375  -1.413   3.168  1.00  0.00           C  
HETATM   26  C24 UNL     1      -4.006  -1.485   2.636  1.00  0.00           C  
HETATM   27  C25 UNL     1      -3.351  -0.563   1.934  1.00  0.00           C  
HETATM   28  C26 UNL     1      -4.103   0.690   1.644  1.00  0.00           C  
HETATM   29  C27 UNL     1      -1.975  -0.826   1.600  1.00  0.00           C  
HETATM   30  C28 UNL     1      -1.494  -0.899   0.188  1.00  0.00           C  
HETATM   31  C29 UNL     1      -0.002  -1.247   0.380  1.00  0.00           C  
HETATM   32  C30 UNL     1       0.489  -2.376  -0.079  1.00  0.00           C  
HETATM   33  C31 UNL     1      -0.460  -3.275  -0.796  1.00  0.00           C  
HETATM   34  C32 UNL     1       1.857  -2.857   0.173  1.00  0.00           C  
HETATM   35  C33 UNL     1       2.725  -1.970   0.983  1.00  0.00           C  
HETATM   36  C34 UNL     1       3.188  -0.727   0.314  1.00  0.00           C  
HETATM   37  C35 UNL     1       4.466  -0.350   0.455  1.00  0.00           C  
HETATM   38  C36 UNL     1       5.345  -1.214   1.296  1.00  0.00           C  
HETATM   39  C37 UNL     1       5.073   0.827  -0.202  1.00  0.00           C  
HETATM   40  C38 UNL     1       6.225   0.287  -1.027  1.00  0.00           C  
HETATM   41  C39 UNL     1       7.030   1.302  -1.725  1.00  0.00           C  
HETATM   42  C40 UNL     1       8.277   1.506  -1.376  1.00  0.00           C  
HETATM   43  C41 UNL     1       8.785   0.642  -0.234  1.00  0.00           C  
HETATM   44  C42 UNL     1       9.248   2.449  -2.009  1.00  0.00           C  
HETATM   45  C43 UNL     1      10.407   1.561  -2.447  1.00  0.00           C  
HETATM   46  C44 UNL     1      11.525   2.285  -3.066  1.00  0.00           C  
HETATM   47  C45 UNL     1      12.691   2.292  -2.397  1.00  0.00           C  
HETATM   48  C46 UNL     1      12.837   1.606  -1.097  1.00  0.00           C  
HETATM   49  C47 UNL     1      13.833   3.006  -2.988  1.00  0.00           C  
HETATM   50  C48 UNL     1      15.018   2.159  -3.299  1.00  0.00           C  
HETATM   51  C49 UNL     1      15.646   1.455  -2.177  1.00  0.00           C  
HETATM   52  C50 UNL     1      16.899   1.731  -1.796  1.00  0.00           C  
HETATM   53  C51 UNL     1      17.638   2.771  -2.549  1.00  0.00           C  
HETATM   54  C52 UNL     1      17.509   1.042  -0.648  1.00  0.00           C  
HETATM   55  C53 UNL     1      18.741   0.249  -0.997  1.00  0.00           C  
HETATM   56  C54 UNL     1      19.259  -0.376   0.266  1.00  0.00           C  
HETATM   57  C55 UNL     1      19.313  -1.688   0.397  1.00  0.00           C  
HETATM   58  C56 UNL     1      19.833  -2.289   1.657  1.00  0.00           C  
HETATM   59  C57 UNL     1      18.863  -2.595  -0.685  1.00  0.00           C  
HETATM   60  C58 UNL     1     -16.978   0.936  -1.087  1.00  0.00           C  
HETATM   61  O3  UNL     1     -16.884  -0.214  -0.540  1.00  0.00           O  
HETATM   62  H1  UNL     1     -18.450   2.927   2.010  1.00  0.00           H  
HETATM   63  H2  UNL     1     -19.919   3.135   0.941  1.00  0.00           H  
HETATM   64  H3  UNL     1     -19.917   1.839   2.219  1.00  0.00           H  
HETATM   65  H4  UNL     1     -18.744   3.762  -0.725  1.00  0.00           H  
HETATM   66  H5  UNL     1     -15.564   2.218  -4.842  1.00  0.00           H  
HETATM   67  H6  UNL     1     -15.559   3.855  -4.180  1.00  0.00           H  
HETATM   68  H7  UNL     1     -14.278   2.670  -3.649  1.00  0.00           H  
HETATM   69  H8  UNL     1     -15.688  -0.673  -3.054  1.00  0.00           H  
HETATM   70  H9  UNL     1     -14.624   0.614  -3.627  1.00  0.00           H  
HETATM   71  H10 UNL     1     -13.556   0.660  -1.184  1.00  0.00           H  
HETATM   72  H11 UNL     1     -15.737  -2.669  -0.937  1.00  0.00           H  
HETATM   73  H12 UNL     1     -15.127  -2.463  -2.683  1.00  0.00           H  
HETATM   74  H13 UNL     1     -14.246  -3.416  -1.505  1.00  0.00           H  
HETATM   75  H14 UNL     1     -13.581  -1.997   0.873  1.00  0.00           H  
HETATM   76  H15 UNL     1     -12.414  -2.389  -0.460  1.00  0.00           H  
HETATM   77  H16 UNL     1     -11.550  -0.141  -0.434  1.00  0.00           H  
HETATM   78  H17 UNL     1     -12.902   0.379   0.708  1.00  0.00           H  
HETATM   79  H18 UNL     1     -10.947  -1.856   1.404  1.00  0.00           H  
HETATM   80  H19 UNL     1     -11.913   1.758   1.810  1.00  0.00           H  
HETATM   81  H20 UNL     1     -13.263   0.852   2.628  1.00  0.00           H  
HETATM   82  H21 UNL     1     -12.006   1.618   3.605  1.00  0.00           H  
HETATM   83  H22 UNL     1      -9.899   0.219   4.064  1.00  0.00           H  
HETATM   84  H23 UNL     1     -11.338  -0.504   4.760  1.00  0.00           H  
HETATM   85  H24 UNL     1      -9.614  -2.061   4.840  1.00  0.00           H  
HETATM   86  H25 UNL     1     -10.659  -2.742   3.599  1.00  0.00           H  
HETATM   87  H26 UNL     1      -8.781  -1.636   1.850  1.00  0.00           H  
HETATM   88  H27 UNL     1      -7.715  -1.761   5.479  1.00  0.00           H  
HETATM   89  H28 UNL     1      -6.537  -3.016   5.066  1.00  0.00           H  
HETATM   90  H29 UNL     1      -8.258  -3.453   5.049  1.00  0.00           H  
HETATM   91  H30 UNL     1      -6.603  -2.133   1.521  1.00  0.00           H  
HETATM   92  H31 UNL     1      -5.996  -3.428   2.669  1.00  0.00           H  
HETATM   93  H32 UNL     1      -5.367  -1.582   4.279  1.00  0.00           H  
HETATM   94  H33 UNL     1      -5.750  -0.374   2.954  1.00  0.00           H  
HETATM   95  H34 UNL     1      -3.483  -2.449   2.867  1.00  0.00           H  
HETATM   96  H35 UNL     1      -3.574   1.362   0.944  1.00  0.00           H  
HETATM   97  H36 UNL     1      -5.041   0.358   1.103  1.00  0.00           H  
HETATM   98  H37 UNL     1      -4.426   1.227   2.531  1.00  0.00           H  
HETATM   99  H38 UNL     1      -1.649  -1.807   2.067  1.00  0.00           H  
HETATM  100  H39 UNL     1      -1.267  -0.100   2.155  1.00  0.00           H  
HETATM  101  H40 UNL     1      -1.973  -1.719  -0.373  1.00  0.00           H  
HETATM  102  H41 UNL     1      -1.505   0.003  -0.397  1.00  0.00           H  
HETATM  103  H42 UNL     1       0.633  -0.563   0.910  1.00  0.00           H  
HETATM  104  H43 UNL     1       0.097  -4.176  -1.104  1.00  0.00           H  
HETATM  105  H44 UNL     1      -0.894  -2.844  -1.699  1.00  0.00           H  
HETATM  106  H45 UNL     1      -1.220  -3.586  -0.046  1.00  0.00           H  
HETATM  107  H46 UNL     1       1.751  -3.818   0.760  1.00  0.00           H  
HETATM  108  H47 UNL     1       2.375  -3.185  -0.759  1.00  0.00           H  
HETATM  109  H48 UNL     1       3.619  -2.518   1.398  1.00  0.00           H  
HETATM  110  H49 UNL     1       2.175  -1.626   1.908  1.00  0.00           H  
HETATM  111  H50 UNL     1       2.553  -0.117  -0.290  1.00  0.00           H  
HETATM  112  H51 UNL     1       6.291  -0.672   1.478  1.00  0.00           H  
HETATM  113  H52 UNL     1       5.589  -2.166   0.809  1.00  0.00           H  
HETATM  114  H53 UNL     1       4.908  -1.335   2.326  1.00  0.00           H  
HETATM  115  H54 UNL     1       5.384   1.587   0.512  1.00  0.00           H  
HETATM  116  H55 UNL     1       4.323   1.232  -0.918  1.00  0.00           H  
HETATM  117  H56 UNL     1       5.710  -0.371  -1.805  1.00  0.00           H  
HETATM  118  H57 UNL     1       6.802  -0.401  -0.410  1.00  0.00           H  
HETATM  119  H58 UNL     1       6.627   1.895  -2.531  1.00  0.00           H  
HETATM  120  H59 UNL     1       9.736   1.057   0.154  1.00  0.00           H  
HETATM  121  H60 UNL     1       8.048   0.818   0.592  1.00  0.00           H  
HETATM  122  H61 UNL     1       8.848  -0.410  -0.495  1.00  0.00           H  
HETATM  123  H62 UNL     1       9.544   3.276  -1.368  1.00  0.00           H  
HETATM  124  H63 UNL     1       8.791   2.879  -2.911  1.00  0.00           H  
HETATM  125  H64 UNL     1      10.688   0.830  -1.677  1.00  0.00           H  
HETATM  126  H65 UNL     1       9.940   0.915  -3.266  1.00  0.00           H  
HETATM  127  H66 UNL     1      11.489   2.806  -4.003  1.00  0.00           H  
HETATM  128  H67 UNL     1      12.879   0.514  -1.192  1.00  0.00           H  
HETATM  129  H68 UNL     1      13.681   1.991  -0.522  1.00  0.00           H  
HETATM  130  H69 UNL     1      11.923   1.784  -0.445  1.00  0.00           H  
HETATM  131  H70 UNL     1      13.551   3.535  -3.943  1.00  0.00           H  
HETATM  132  H71 UNL     1      14.078   3.844  -2.287  1.00  0.00           H  
HETATM  133  H72 UNL     1      15.783   2.726  -3.891  1.00  0.00           H  
HETATM  134  H73 UNL     1      14.659   1.376  -4.036  1.00  0.00           H  
HETATM  135  H74 UNL     1      15.173   0.665  -1.610  1.00  0.00           H  
HETATM  136  H75 UNL     1      18.604   2.974  -2.033  1.00  0.00           H  
HETATM  137  H76 UNL     1      17.034   3.694  -2.613  1.00  0.00           H  
HETATM  138  H77 UNL     1      17.867   2.442  -3.563  1.00  0.00           H  
HETATM  139  H78 UNL     1      17.740   1.778   0.160  1.00  0.00           H  
HETATM  140  H79 UNL     1      16.731   0.370  -0.180  1.00  0.00           H  
HETATM  141  H80 UNL     1      18.468  -0.548  -1.697  1.00  0.00           H  
HETATM  142  H81 UNL     1      19.525   0.919  -1.394  1.00  0.00           H  
HETATM  143  H82 UNL     1      19.587   0.255   1.083  1.00  0.00           H  
HETATM  144  H83 UNL     1      19.998  -3.375   1.528  1.00  0.00           H  
HETATM  145  H84 UNL     1      19.120  -2.103   2.480  1.00  0.00           H  
HETATM  146  H85 UNL     1      20.822  -1.819   1.907  1.00  0.00           H  
HETATM  147  H86 UNL     1      17.760  -2.458  -0.826  1.00  0.00           H  
HETATM  148  H87 UNL     1      19.360  -2.381  -1.654  1.00  0.00           H  
HETATM  149  H88 UNL     1      19.029  -3.663  -0.430  1.00  0.00           H  
CONECT    1    2   62   63   64
CONECT    2    3
CONECT    3    4    4   60
CONECT    4    5   65
CONECT    5    6    6    7
CONECT    7    8    9    9
CONECT    8   66   67   68
CONECT    9   10   60
CONECT   10   11   69   70
CONECT   11   12   12   71
CONECT   12   13   14
CONECT   13   72   73   74
CONECT   14   15   75   76
CONECT   15   16   77   78
CONECT   16   17   17   79
CONECT   17   18   19
CONECT   18   80   81   82
CONECT   19   20   83   84
CONECT   20   21   85   86
CONECT   21   22   22   87
CONECT   22   23   24
CONECT   23   88   89   90
CONECT   24   25   91   92
CONECT   25   26   93   94
CONECT   26   27   27   95
CONECT   27   28   29
CONECT   28   96   97   98
CONECT   29   30   99  100
CONECT   30   31  101  102
CONECT   31   32   32  103
CONECT   32   33   34
CONECT   33  104  105  106
CONECT   34   35  107  108
CONECT   35   36  109  110
CONECT   36   37   37  111
CONECT   37   38   39
CONECT   38  112  113  114
CONECT   39   40  115  116
CONECT   40   41  117  118
CONECT   41   42   42  119
CONECT   42   43   44
CONECT   43  120  121  122
CONECT   44   45  123  124
CONECT   45   46  125  126
CONECT   46   47   47  127
CONECT   47   48   49
CONECT   48  128  129  130
CONECT   49   50  131  132
CONECT   50   51  133  134
CONECT   51   52   52  135
CONECT   52   53   54
CONECT   53  136  137  138
CONECT   54   55  139  140
CONECT   55   56  141  142
CONECT   56   57   57  143
CONECT   57   58   59
CONECT   58  144  145  146
CONECT   59  147  148  149
CONECT   60   61   61
END
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SMILES for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
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INCHI for HMDB0060251 (2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone)

InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methyl-1,4-benzoquinoneChEBI
5-Demethoxyubiquinone-10ChEBI
Chemical FormulaC58H88O3
Average Molecular Weight833.3175
Monoisotopic Molecular Weight832.673346682
IUPAC Name3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Traditional Name3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
CAS Registry NumberNot Available
SMILES
COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
InChI Identifier
InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
InChI KeyDLBRMPAESNEOJM-RGIWONJESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as polyprenylbenzoquinones. Polyprenylbenzoquinones are compounds containing a polyisoprene chain attached to a quinone at the second ring position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassQuinone and hydroquinone lipids
Direct ParentPolyprenylbenzoquinones
Alternative Parents
Substituents
  • Polyterpenoid
  • Polyprenylbenzoquinone
  • Quinone
  • P-benzoquinone
  • Vinylogous ester
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 10V, Positive-QTOFsplash10-00lr-0302021390-4f931f524f65b264c6522017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 20V, Positive-QTOFsplash10-014i-1656569140-dd696e33ba49c5180ec02017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 40V, Positive-QTOFsplash10-00kb-3233029810-fc889050b8d26c77cf752017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 10V, Negative-QTOFsplash10-001i-0000000090-76eb431fa902e3c3e8712017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 20V, Negative-QTOFsplash10-001i-1100000690-97deff8c087791dd0df22017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 40V, Negative-QTOFsplash10-014i-8200002890-91a9bd302827b2a078962017-10-06Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDCPD-11660
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25010748
PDB IDNot Available
ChEBI ID50772
Food Biomarker OntologyNot Available
VMH ID2DP6MOBQ_ME
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]
  2. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  3. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  4. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  5. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.