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Showing metabocard for Decanoyl-CoA (n-C10:0CoA) (HMDB0006404)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (111)transporters (1) Show 112 proteinsXML
enzymes (111)transporters (1) Show 112 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-05-23 05:41:47 UTC
Update Date2021-09-14 15:42:51 UTC
HMDB IDHMDB0006404
Secondary Accession Numbers
  • HMDB06404
Metabolite Identification
Common NameDecanoyl-CoA (n-C10:0CoA)
DescriptionDecanoyl CoA is a human liver acyl-CoA ester. It is selected to determine apparent kinetic constants for human liver acyl-CoA due to its relevance to the human diseases with cellular accumulation of this esters, especially to metabolic defects in the acyl-CoA dehydrogenation steps of the branched-chain amino acids, lysine, 5-hydroxy lysine, tryptophan, and fatty acid oxidation pathways. It is concluded that the substrate concentration is decisive for the glycine conjugate formation and that the occurrence in urine of acylglycines reflects an intramitochondrial accumulation of the corresponding acyl-CoA ester. (PMID: 3707752 ).
Structure
Data?1582752383
MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))


  Mrv0541 02231220392D          

 59 61  0  0  0  0            999 V2000
    0.0122    3.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    1.6018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4265    3.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.8274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0067    2.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7051    4.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183    0.8274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0937    0.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.6139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1519    4.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611    3.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    0.2364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494    1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611    3.8596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519    5.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144    0.2445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5784    1.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    1.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225   -0.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8907    1.3083    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8907   -0.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826    2.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8867   -2.1153    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0267   -2.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7141   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6043   -2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8911   -0.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1779   -2.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3842   -1.6873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5198   -2.0949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290   -0.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6596   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))

Download
3D SDF for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))

  Mrv0541 02231220392D          

 59 61  0  0  0  0            999 V2000
    0.0122    3.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    1.6018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4265    3.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.8274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0067    2.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7051    4.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183    0.8274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0937    0.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0975   -2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5198   -2.0949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372   -1.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290   -0.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0006404

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

> <INCHI_IDENTIFIER>
InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1

> <INCHI_KEY>
CNKJPHSEFDPYDB-BOJFXZHGSA-N

> <FORMULA>
C31H54N7O17P3S

> <MOLECULAR_WEIGHT>
921.783

> <EXACT_MASS>
921.250973563

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
87.87369189555537

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
0.87

> <JCHEM_LOGP>
-3.1626943679663517

> <ALOGPS_LOGS>
-2.50

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.8334045176178444

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8252479627216065

> <JCHEM_PKA_STRONGEST_BASIC>
4.946047024039826

> <JCHEM_POLAR_SURFACE_AREA>
363.6299999999999

> <JCHEM_REFRACTIVITY>
209.04190000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.94e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))
https://cactus.nci.nih.gov/chemical/structure/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)...
 OpenBabel09142113213D
Jmol version 14.31.45  2021-07-21 05:08 EXTRACT: ({0:112})
113115  0  0  0  0  0  0  0  0999 V2000
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  -19.0268    3.6599   -0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
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 63112  1  0  0  0  0
 63113  1  0  0  0  0
M  END
$$$$

Download
PDB for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))
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  N   UNK     0       0.023   5.660   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -0.609   2.990   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.663   5.660   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.030   7.205   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.088   1.544   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.879   3.910   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.663   7.205   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -4.017   4.876   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      -1.316   7.996   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -2.647   1.544   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.175   0.312   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.135   3.013   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.017   7.981   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.341   5.660   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.431   0.441   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -4.572   3.462   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -5.341   7.205   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -4.017   9.517   0.000  0.00  0.00           N+0
HETATM   19  P   UNK     0      -5.067   0.456   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0      -6.680   2.473   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.953   1.917   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.573   0.419   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.082  -1.096   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -9.129   2.442   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0      -9.129  -0.806   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.114   3.994   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -10.674   2.473   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0      -9.122  -3.949   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0      -7.517  -3.910   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.145  -5.759   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -10.666  -3.918   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -6.200  -3.150   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.861  -3.910   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.530  -3.150   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.884  -5.280   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.899  -2.328   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.199  -3.910   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -3.530  -1.605   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      -0.867  -3.150   0.000  0.00  0.00           N+0
HETATM   40  O   UNK     0      -2.199  -5.447   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.456  -3.910   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.788  -3.150   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.127  -3.910   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0       4.451  -3.150   0.000  0.00  0.00           N+0
HETATM   45  O   UNK     0       3.127  -5.447   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       5.782  -3.910   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.113  -3.142   0.000  0.00  0.00           C+0
HETATM   48  S   UNK     0       8.437  -3.910   0.000  0.00  0.00           S+0
HETATM   49  C   UNK     0       9.776  -3.150   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      11.100  -3.918   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       9.761  -1.605   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      12.431  -3.150   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      13.755  -3.926   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      15.094  -3.157   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      15.086  -1.613   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.410  -0.829   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      16.395   0.723   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      15.041   1.491   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      13.694   0.723   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13    9                                                  
CONECT    8    3   14                                                       
CONECT    9    4    7                                                       
CONECT   10    5   15   12                                                  
CONECT   11    5                                                            
CONECT   12    6   16   10                                                  
CONECT   13    7   17   18                                                  
CONECT   14    8   17                                                       
CONECT   15   10   19                                                       
CONECT   16   12   20                                                       
CONECT   17   13   14                                                       
CONECT   18   13                                                            
CONECT   19   15   21   22   23                                             
CONECT   20   16   24                                                       
CONECT   21   19                                                            
CONECT   22   19                                                            
CONECT   23   19                                                            
CONECT   24   20   25   26   27                                             
CONECT   25   24   28                                                       
CONECT   26   24                                                            
CONECT   27   24                                                            
CONECT   28   25   29   30   31                                             
CONECT   29   28   32                                                       
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32   29   33                                                       
CONECT   33   32   34   35   36                                             
CONECT   34   33   37   38                                                  
CONECT   35   33                                                            
CONECT   36   33                                                            
CONECT   37   34   39   40                                                  
CONECT   38   34                                                            
CONECT   39   37   41                                                       
CONECT   40   37                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43   46                                                       
CONECT   45   43                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49   52                                                       
CONECT   51   49                                                            
CONECT   52   50   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58                                                            
MASTER        0    0    0    0    0    0    0    0   59    0  122    0
END

Download
3D PDB for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))
COMPND    https://cactus.nci.nih.gov/chemical/structure/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)... 
AUTHOR    GENERATED BY OPEN BABEL 3.1.0
HETATM    1  C   UNL     1     -22.505   5.307  -1.017  1.00  0.00           C  
HETATM    2  C   UNL     1     -21.163   4.782  -1.533  1.00  0.00           C  
HETATM    3  C   UNL     1     -20.368   4.184  -0.370  1.00  0.00           C  
HETATM    4  C   UNL     1     -19.027   3.660  -0.886  1.00  0.00           C  
HETATM    5  C   UNL     1     -18.232   3.062   0.277  1.00  0.00           C  
HETATM    6  C   UNL     1     -16.890   2.538  -0.239  1.00  0.00           C  
HETATM    7  C   UNL     1     -16.095   1.940   0.923  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.754   1.415   0.408  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.959   0.818   1.570  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.637   0.301   1.062  1.00  0.00           C  
HETATM   11  O   UNL     1     -12.359   0.401  -0.114  1.00  0.00           O  
HETATM   12  S   UNL     1     -11.530  -0.427   2.146  1.00  0.00           S  
HETATM   13  C   UNL     1     -10.187  -0.829   1.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.050  -1.508   1.764  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.963  -1.833   0.837  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.849  -2.441   1.290  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.746  -2.719   2.466  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.732  -2.775   0.336  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.594  -3.455   1.101  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.508  -3.780   0.173  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.394  -4.388   0.627  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.251  -4.584   1.815  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.326  -4.824  -0.343  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.792  -4.637  -1.680  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.064  -3.989  -0.120  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.413  -2.502  -0.212  1.00  0.00           C  
HETATM   27  C   UNL     1       0.512  -4.293   1.264  1.00  0.00           C  
HETATM   28  C   UNL     1       0.973  -4.336  -1.191  1.00  0.00           C  
HETATM   29  O   UNL     1       2.152  -3.556  -0.984  1.00  0.00           O  
HETATM   30  P   UNL     1       3.452  -3.663  -1.928  1.00  0.00           P  
HETATM   31  O   UNL     1       4.099  -5.130  -1.785  1.00  0.00           O  
HETATM   32  O   UNL     1       3.059  -3.432  -3.336  1.00  0.00           O  
HETATM   33  O   UNL     1       4.531  -2.554  -1.483  1.00  0.00           O  
HETATM   34  P   UNL     1       5.792  -1.866  -2.210  1.00  0.00           P  
HETATM   35  O   UNL     1       7.018  -2.909  -2.257  1.00  0.00           O  
HETATM   36  O   UNL     1       5.418  -1.482  -3.589  1.00  0.00           O  
HETATM   37  O   UNL     1       6.235  -0.554  -1.388  1.00  0.00           O  
HETATM   38  C   UNL     1       7.261   0.335  -1.836  1.00  0.00           C  
HETATM   39  C   UNL     1       7.428   1.471  -0.825  1.00  0.00           C  
HETATM   40  H   UNL     1       6.468   1.957  -0.652  1.00  0.00           H  
HETATM   41  O   UNL     1       7.943   0.952   0.413  1.00  0.00           O  
HETATM   42  C   UNL     1       8.800   1.970   0.973  1.00  0.00           C  
HETATM   43  H   UNL     1       8.208   2.751   1.449  1.00  0.00           H  
HETATM   44  C   UNL     1       9.550   2.530  -0.263  1.00  0.00           C  
HETATM   45  H   UNL     1      10.387   1.887  -0.535  1.00  0.00           H  
HETATM   46  O   UNL     1       9.993   3.868  -0.027  1.00  0.00           O  
HETATM   47  C   UNL     1       8.447   2.498  -1.354  1.00  0.00           C  
HETATM   48  H   UNL     1       8.863   2.167  -2.306  1.00  0.00           H  
HETATM   49  O   UNL     1       7.844   3.785  -1.494  1.00  0.00           O  
HETATM   50  P   UNL     1       7.832   4.603  -2.881  1.00  0.00           P  
HETATM   51  O   UNL     1       6.956   3.801  -3.969  1.00  0.00           O  
HETATM   52  O   UNL     1       7.189   6.059  -2.641  1.00  0.00           O  
HETATM   53  O   UNL     1       9.219   4.752  -3.378  1.00  0.00           O  
HETATM   54  N   UNL     1       9.742   1.382   1.929  1.00  0.00           N  
HETATM   55  C   UNL     1      10.154   0.083   1.960  1.00  0.00           C  
HETATM   56  N   UNL     1      10.993  -0.093   2.940  1.00  0.00           N  
HETATM   57  C   UNL     1      11.172   1.078   3.596  1.00  0.00           C  
HETATM   58  C   UNL     1      10.376   2.040   2.952  1.00  0.00           C  
HETATM   59  N   UNL     1      10.374   3.288   3.409  1.00  0.00           N  
HETATM   60  C   UNL     1      11.107   3.622   4.450  1.00  0.00           C  
HETATM   61  N   UNL     1      11.870   2.754   5.088  1.00  0.00           N  
HETATM   62  C   UNL     1      11.939   1.484   4.702  1.00  0.00           C  
HETATM   63  N   UNL     1      12.742   0.581   5.377  1.00  0.00           N  
HETATM   64  H   UNL     1     -23.070   4.486  -0.575  1.00  0.00           H  
HETATM   65  H   UNL     1     -22.329   6.075  -0.264  1.00  0.00           H  
HETATM   66  H   UNL     1     -23.071   5.732  -1.846  1.00  0.00           H  
HETATM   67  H   UNL     1     -21.339   4.014  -2.286  1.00  0.00           H  
HETATM   68  H   UNL     1     -20.598   5.603  -1.976  1.00  0.00           H  
HETATM   69  H   UNL     1     -20.193   4.953   0.383  1.00  0.00           H  
HETATM   70  H   UNL     1     -20.933   3.364   0.072  1.00  0.00           H  
HETATM   71  H   UNL     1     -19.202   2.892  -1.639  1.00  0.00           H  
HETATM   72  H   UNL     1     -18.462   4.480  -1.329  1.00  0.00           H  
HETATM   73  H   UNL     1     -18.056   3.830   1.030  1.00  0.00           H  
HETATM   74  H   UNL     1     -18.797   2.242   0.719  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.066   1.770  -0.992  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.325   3.358  -0.682  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.920   2.708   1.677  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.660   1.120   1.366  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.929   0.647  -0.345  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.189   2.236  -0.035  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.784   1.586   2.324  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.524  -0.003   2.013  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.559  -1.502   0.227  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.818   0.087   0.537  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.679  -0.835   2.537  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.419  -2.424   2.227  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.046  -1.611  -0.104  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.103  -3.449  -0.437  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.363  -1.860  -0.126  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.223  -2.782   1.874  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.964  -4.371   1.563  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.591  -3.558  -0.767  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.097  -5.878  -0.181  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.014  -3.721  -1.895  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.151  -2.255   0.550  1.00  0.00           H  
HETATM   96  H   UNL     1       0.486  -1.907  -0.054  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.823  -2.286  -1.199  1.00  0.00           H  
HETATM   98  H   UNL     1       0.655  -5.368   1.371  1.00  0.00           H  
HETATM   99  H   UNL     1       1.470  -3.786   1.379  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.179  -3.940   2.030  1.00  0.00           H  
HETATM  101  H   UNL     1       1.222  -5.395  -1.125  1.00  0.00           H  
HETATM  102  H   UNL     1       0.563  -4.120  -2.177  1.00  0.00           H  
HETATM  103  H   UNL     1       4.381  -5.349  -0.886  1.00  0.00           H  
HETATM  104  H   UNL     1       7.317  -3.205  -1.386  1.00  0.00           H  
HETATM  105  H   UNL     1       8.200  -0.211  -1.928  1.00  0.00           H  
HETATM  106  H   UNL     1       6.985   0.749  -2.805  1.00  0.00           H  
HETATM  107  H   UNL     1      10.616   3.952   0.708  1.00  0.00           H  
HETATM  108  H   UNL     1       6.035   3.666  -3.709  1.00  0.00           H  
HETATM  109  H   UNL     1       7.150   6.607  -3.436  1.00  0.00           H  
HETATM  110  H   UNL     1       9.831  -0.686   1.275  1.00  0.00           H  
HETATM  111  H   UNL     1      11.083   4.645   4.796  1.00  0.00           H  
HETATM  112  H   UNL     1      13.263   0.872   6.141  1.00  0.00           H  
HETATM  113  H   UNL     1      12.784  -0.343   5.085  1.00  0.00           H  
CONECT    1    2   64   65   66                                       
CONECT    2    1    3   67   68                                       
CONECT    3    2    4   69   70                                       
CONECT    4    3    5   71   72                                       
CONECT    5    4    6   73   74                                       
CONECT    6    5    7   75   76                                       
CONECT    7    6    8   77   78                                       
CONECT    8    7    9   79   80                                       
CONECT    9    8   10   81   82                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   83   84                                       
CONECT   14   13   15   85   86                                       
CONECT   15   14   16   87                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   88   89                                       
CONECT   19   18   20   90   91                                       
CONECT   20   19   21   92                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   25   93                                       
CONECT   24   23   94                                                 
CONECT   25   23   26   27   28                                       
CONECT   26   25   95   96   97                                       
CONECT   27   25   98   99  100                                       
CONECT   28   25   29  101  102                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   32   32                                       
CONECT   30   33                                                      
CONECT   31   30  103                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   36   36                                       
CONECT   34   37                                                      
CONECT   35   34  104                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39  105  106                                       
CONECT   39   38   40   41   47                                       
CONECT   40   39                                                      
CONECT   41   39   42                                                 
CONECT   42   41   43   44   54                                       
CONECT   43   42                                                      
CONECT   44   42   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44  107                                                 
CONECT   47   44   48   39   49                                       
CONECT   48   47                                                      
CONECT   49   47   50                                                 
CONECT   50   49   51   52   53                                       
CONECT   50   53                                                      
CONECT   51   50  108                                                 
CONECT   52   50  109                                                 
CONECT   53   50   50                                                 
CONECT   54   42   55   58                                            
CONECT   55   54   56   56  110                                       
CONECT   56   55   55   57                                            
CONECT   57   56   58   58   62                                       
CONECT   58   57   57   54   59                                       
CONECT   59   58   60   60                                            
CONECT   60   59   59   61  111                                       
CONECT   61   60   62   62                                            
CONECT   62   61   61   57   63                                       
CONECT   63   62  112  113                                            
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81    9                                                      
CONECT   82    9                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   14                                                      
CONECT   86   14                                                      
CONECT   87   15                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   20                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   28                                                      
CONECT  103   31                                                      
CONECT  104   35                                                      
CONECT  105   38                                                      
CONECT  106   38                                                      
CONECT  107   46                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   55                                                      
CONECT  111   60                                                      
CONECT  112   63                                                      
CONECT  113   63                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END

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SMILES for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
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INCHI for HMDB0006404 (Decanoyl-CoA (n-C10:0CoA))
InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Decanoyl coenzyme A monohydrateHMDB
Decanoyl-CoAHMDB
Decanoyl-coenzyme AHMDB
S-DecanoateHMDB
S-Decanoate coenzyme AHMDB
S-Decanoic acidHMDB
Chemical FormulaC31H54N7O17P3S
Average Molecular Weight921.783
Monoisotopic Molecular Weight921.250973563
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Traditional Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid
CAS Registry Number1264-57-9
SMILES
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1
InChI KeyCNKJPHSEFDPYDB-BOJFXZHGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassFatty Acyls  
Sub ClassFatty acyl thioesters  
Direct Parent2,3,4-saturated fatty acyl CoAs  
Alternative Parents
Substituents
  • Coenzyme a or derivatives
    • 

  • Purine ribonucleoside 3',5'-bisphosphate
    • 

  • Purine ribonucleoside bisphosphate
    • 

  • Purine ribonucleoside diphosphate
    • 

  • Ribonucleoside 3'-phosphate
    • 

  • Pentose phosphate
    • 

  • Pentose-5-phosphate
    • 

  • Beta amino acid or derivatives
    • 

  • Glycosyl compound
    • 

  • N-glycosyl compound
    • 

  • 6-aminopurine
    • 

  • Monosaccharide phosphate
    • 

  • Organic pyrophosphate
    • 

  • Pentose monosaccharide
    • 

  • Imidazopyrimidine
    • 

  • Purine
    • 

  • Monoalkyl phosphate
    • 

  • Aminopyrimidine
    • 

  • Imidolactam
    • 

  • N-acyl-amine
    • 

  • N-substituted imidazole
    • 

  • Organic phosphoric acid derivative
    • 

  • Monosaccharide
    • 

  • Pyrimidine
    • 

  • Alkyl phosphate
    • 

  • Fatty amide
    • 

  • Phosphoric acid ester
    • 

  • Tetrahydrofuran
    • 

  • Imidazole
    • 

  • Azole
    • 

  • Heteroaromatic compound
    • 

  • Carbothioic s-ester
    • 

  • Secondary alcohol
    • 

  • Thiocarboxylic acid ester
    • 

  • Carboxamide group
    • 

  • Secondary carboxylic acid amide
    • 

  • Amino acid or derivatives
    • 

  • Sulfenyl compound
    • 

  • Thiocarboxylic acid or derivatives
    • 

  • Organoheterocyclic compound
    • 

  • Azacycle
    • 

  • Oxacycle
    • 

  • Carboxylic acid derivative
    • 

  • Organosulfur compound
    • 

  • Organic oxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Carbonyl group
    • 

  • Organic nitrogen compound
    • 

  • Primary amine
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Alcohol
    • 

  • Amine
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition
Route of exposure:
Source:
Biological location:
Process
Naturally occurring process:
Role
Industrial application:
Biological role:
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility2.94 g/LALOGPS
logP0.87ALOGPS
logP-3.2ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)0.83ChemAxon
pKa (Strongest Basic)4.95ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area363.63 ŲChemAxon
Rotatable Bond Count28ChemAxon
Refractivity209.04 m³·mol⁻¹ChemAxon
Polarizability87.87 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
GC-MS
Spectrum TypeDescriptionSplash KeyDeposition DateView
MSMass Spectrum (Electron Ionization)splash10-052g-6201192200-6922d438042f5fc6da9a2021-09-05View Spectrum
LC-MS/MS
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Positivesplash10-000i-1911101102-21a54e6ddc3bc3f0fa2f2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Positivesplash10-000i-0940200000-cde77193a5a7de49b0862015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Positivesplash10-000i-1910102000-ef500961059789acea182015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Negativesplash10-0zpi-2912030303-cea2a707bb4d954482d62015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Negativesplash10-0fai-2901010000-90a07e7716a613da0fbb2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Negativesplash10-057i-6900000000-a26ec16b7584e4b6f0cd2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Positivesplash10-00di-0000000009-9c6e246136b34450c4602021-09-06View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Positivesplash10-000i-0901101444-7d82560a0eb08046a3362021-09-06View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Positivesplash10-014i-0102900000-d37c54e3164eb2bba07a2021-09-06View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Negativesplash10-00di-0000000009-b80ec55ac3d3f5f28bff2021-09-07View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Negativesplash10-00fr-4300202419-e5dbe4788b92dec8f8ff2021-09-07View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Negativesplash10-0ftr-5504602935-4a47c48ba0e88b3c9b652021-09-07View Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
    • 

  • Extracellular
    • 

  • Membrane
    • 

  • Peroxisome
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 IDFDB023910  
KNApSAcK IDNot Available
Chemspider ID389510  
KEGG Compound IDC05274  
BioCyc IDNot Available
BiGG ID45478  
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440615  
PDB IDNot Available
ChEBI ID28493  
Food Biomarker OntologyNot Available
VMH IDDCACOA  
MarkerDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Gregersen N, Kolvraa S, Mortensen PB: Acyl-CoA: glycine N-acyltransferase: in vitro studies on the glycine conjugation of straight- and branched-chained acyl-CoA esters in human liver. Biochem Med Metab Biol. 1986 Apr;35(2):210-8. [PubMed:3707752  ] 
  Only showing the first  10 proteins. There  are 112 proteins in total. 
Show all enzymes and transporters
Enzymes
  Enzyme Details
1. 3-ketoacyl-CoA thiolase, mitochondrial
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Abolishes BNIP3-mediated apoptosis and mitochondrial damage.

Gene Name:
ACAA2
Uniprot ID:
P42765  
Molecular weight:
41923.82
Reactions
Decanoyl-CoA (n-C10:0CoA) + Acetyl-CoA → Coenzyme A + 3-Oxododecanoyl-CoAdetails
  Enzyme Details
2. 3-ketoacyl-CoA thiolase, peroxisomal
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Not Available
Gene Name:
ACAA1
Uniprot ID:
P09110  
Molecular weight:
34664.46
Reactions
Decanoyl-CoA (n-C10:0CoA) + Acetyl-CoA → Coenzyme A + 3-Oxododecanoyl-CoAdetails
  Enzyme Details
3. Trifunctional enzyme subunit beta, mitochondrial
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Not Available
Gene Name:
HADHB
Uniprot ID:
P55084  
Molecular weight:
51293.955
Reactions
Decanoyl-CoA (n-C10:0CoA) + Acetyl-CoA → Coenzyme A + 3-Oxododecanoyl-CoAdetails
  Enzyme Details
4. Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Plays a role in valine and pyrimidine metabolism. Binds fatty acyl-CoA.

Gene Name:
ALDH6A1
Uniprot ID:
Q02252  
Molecular weight:
57839.31
  Enzyme Details
5. Long-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
ACADL
Uniprot ID:
P28330  
Molecular weight:
47655.275
Reactions
Decanoyl-CoA (n-C10:0CoA) + FAD → (2E)-Decenoyl-CoA + FADHdetails
  Enzyme Details
6. Short-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
ACADS
Uniprot ID:
P16219  
Molecular weight:
44296.705
  Enzyme Details
7. Medium-chain specific acyl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
This enzyme is specific for acyl chain lengths of 4 to 16.

Gene Name:
ACADM
Uniprot ID:
P11310  
Molecular weight:
46587.98
Reactions
Decanoyl-CoA (n-C10:0CoA) + FAD → (2E)-Decenoyl-CoA + FADHdetails
  Enzyme Details
8. Peroxisomal acyl-coenzyme A oxidase 1
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Catalyzes the desaturation of acyl-CoAs to 2-trans-enoyl-CoAs. Isoform 1 shows highest activity against medium-chain fatty acyl-CoAs and activity decreases with increasing chain length. Isoform 2 is active against a much broader range of substrates and shows activity towards very long-chain acyl-CoAs. Isoform 2 is twice as active as isoform 1 against 16-hydroxy-palmitoyl-CoA and is 25% more active against 1,16-hexadecanodioyl-CoA.

Gene Name:
ACOX1
Uniprot ID:
Q15067  
Molecular weight:
70135.205
Reactions
Decanoyl-CoA (n-C10:0CoA) + FAD → (2E)-Decenoyl-CoA + FADHdetails
  Enzyme Details
9. Peroxisomal acyl-coenzyme A oxidase 2
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Oxidizes the CoA esters of the bile acid intermediates di- and tri-hydroxycholestanoic acids.

Gene Name:
ACOX2
Uniprot ID:
Q99424  
Molecular weight:
76826.14
  Enzyme Details
10. Isovaleryl-CoA dehydrogenase, mitochondrial
General function:
Involved in acyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
IVD
Uniprot ID:
P26440  
Molecular weight:
43055.325
Transporters
  Enzyme Details
1. Long-chain fatty acid transport protein 1
General function:
Lipid transport and metabolism
Specific function:
Involved in translocation of long-chain fatty acids (LFCA) across the plasma membrane. The LFCA import appears to be hormone-regulated in a tissue-specific manner. In adipocytes, but not myocytes, insulin induces a rapid translocation of FATP1 from intracellular compartments to the plasma membrane, paralleled by increased LFCA uptake. May act directly as a bona fide transporter, or alternatively, in a cytoplasmic or membrane- associated multimeric protein complex to trap and draw fatty acids towards accumulation. Plays a pivotal role in regulating available LFCA substrates from exogenous sources in tissues undergoing high levels of beta-oxidation or triglyceride synthesis. May be involved in regulation of cholesterol metabolism. Has acyl-CoA ligase activity for long-chain and very-long-chain fatty acids
Gene Name:
SLC27A1
Uniprot ID:
Q6PCB7  
Molecular weight:
71107.5
  Only showing the first  10 proteins. There  are 112 proteins in total. 
Show all enzymes and transporters