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Showing metabocard for (2E)-Octenoyl-CoA (HMDB0003949)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (113)transporters (1) Show 114 proteinsXML
enzymes (113)transporters (1) Show 114 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 07:55:12 UTC
Update Date2021-09-14 15:42:20 UTC
HMDB IDHMDB0003949
Secondary Accession Numbers
  • HMDB03949
Metabolite Identification
Common Name(2E)-Octenoyl-CoA
Description(2E)-Octenoyl-CoA is the main metabolite produced in medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3, MCAD) deficiency; however the product of the enzymatic reaction is not directly detected in several methods for screening of inborn errors of fatty acid oxidation. In order to aid the timely follow-up of screening results that suggest abnormalities in MCAD, rapid and simple confirmatory tests for the enzyme activity and/or gene mutation analysis should be available. Medium-chain fatty acyl-CoA dehydrogenase (MCAD) catalyzes the conversion of different chain length fatty acyl- CoAs into their corresponding trans-enoyl-CoA moieties via two consecutive sequences of steps. The first step involves the concerted abstraction of a proton and a hydride ion from the a- and 8-carbon chains of the fatty acyl-CoA substrates, concomitant with the reduction of the enzyme (E)-bound FAD to FADH2. The reoxidation of EFADH2, to propagate further rounds of catalysis, is accomplished via transfer of electrons to a variety of organic electron acceptors; the natural electron acceptor for this process, under physiological conditions, is the electron-transferring flavoprotein. Of the different chain length fatty acyl-CoA substrates, octanoyl-CoA/octenoyl-CoA have been known as the most efficient (and physiological) substrates for the medium-chain fatty acyl-CoA dehydrogenase (MCAD)-catalyzed reaction. (PMID: 16046200 , 1390638 , 8038175 ).
Structure
Data?1582752292
MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003949 ((2E)-Octenoyl-CoA)


  Mrv0541 02231219502D          

 57 59  0  0  1  0            999 V2000
   30.2736  -11.9719    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9964  -11.6406    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.5708  -12.6633    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.9921  -12.5165    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.4796  -14.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4433  -12.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3858  -13.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9024  -13.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5495  -11.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3842  -11.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2390  -12.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6085  -12.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7453  -12.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0545  -13.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0870  -11.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0046  -13.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6552  -13.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5032  -11.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3460  -11.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6576  -15.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.8297  -13.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
M  END
Download

3D MOL for HMDB0003949 ((2E)-Octenoyl-CoA)

Download
3D SDF for HMDB0003949 ((2E)-Octenoyl-CoA)

  Mrv0541 02231219502D          

 57 59  0  0  1  0            999 V2000
   30.2736  -11.9719    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9964  -11.6406    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4433  -12.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3858  -13.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.1116  -13.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4383  -15.1569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4383  -16.4847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   28.1839  -12.6025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9197  -13.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4135  -12.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5035  -11.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8297  -13.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2286  -15.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5880  -12.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0094  -12.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7625  -12.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4308  -12.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8522  -12.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5378  -11.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8695  -12.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6053  -12.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2909  -11.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0003949

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCC\C=C\C(=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/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1

> <INCHI_KEY>
CPSDNAXXKWVYIY-DPSCIZRPSA-N

> <FORMULA>
C29H48N7O17P3S

> <MOLECULAR_WEIGHT>
891.714

> <EXACT_MASS>
891.204023371

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
81.25813279649333

> <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)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
0.55

> <JCHEM_LOGP>
-3.820674874966354

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.67877117985815

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8252479627216065

> <JCHEM_PKA_STRONGEST_BASIC>
4.946047024039826

> <JCHEM_POLAR_SURFACE_AREA>
363.6299999999999

> <JCHEM_REFRACTIVITY>
200.93320000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for HMDB0003949 ((2E)-Octenoyl-CoA)
https://cactus.nci.nih.gov/chemical/structure/CCCCC%5CC=C%5CC(=O)SCCNC(=O)CCN...
 OpenBabel09142113213D
Jmol version 14.31.45  2021-07-21 05:08 EXTRACT: ({0:104})
105107  0  0  0  0  0  0  0  0999 V2000
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 61105  1  0  0  0  0
M  END
$$$$

Download
PDB for HMDB0003949 ((2E)-Octenoyl-CoA)
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  S   UNK     0      56.511 -22.348   0.000  0.00  0.00           S+0
HETATM    2  P   UNK     0      31.727 -21.729   0.000  0.00  0.00           P+0
HETATM    3  P   UNK     0      36.532 -23.638   0.000  0.00  0.00           P+0
HETATM    4  P   UNK     0      39.185 -23.364   0.000  0.00  0.00           P+0
HETATM    5  O   UNK     0      32.629 -26.356   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      30.694 -22.872   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      28.720 -25.579   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      35.284 -24.541   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      32.759 -20.586   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      30.584 -20.696   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      37.779 -22.735   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      32.869 -22.762   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      40.591 -23.993   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      37.435 -24.886   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      35.629 -22.391   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      44.809 -25.879   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      39.814 -21.958   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      38.556 -24.770   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      45.739 -21.913   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      51.046 -21.364   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      58.075 -24.508   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      30.685 -28.293   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0      30.685 -30.771   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      27.894 -27.992   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0      26.560 -30.302   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0      27.894 -32.612   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0      47.304 -24.073   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      52.610 -23.525   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      31.167 -24.337   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      30.260 -25.581   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      32.631 -24.816   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      31.163 -26.829   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      33.879 -23.913   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      29.228 -28.762   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      31.583 -29.532   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      29.228 -30.302   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      43.244 -23.719   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      27.894 -31.072   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      44.650 -24.347   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      41.839 -23.090   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      43.873 -22.313   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      42.615 -25.125   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      26.560 -28.762   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      45.898 -23.445   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      48.551 -23.170   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      49.957 -23.799   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      51.204 -22.896   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      53.857 -22.622   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      64.471 -21.525   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      63.223 -22.428   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      55.263 -23.251   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      65.876 -22.154   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      61.817 -21.799   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      67.124 -21.251   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      60.570 -22.702   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      59.164 -22.073   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      57.917 -22.976   0.000  0.00  0.00           C+0
CONECT    1   51   57                                                       
CONECT    2    6    9   10   12                                             
CONECT    3    8   11   14   15                                             
CONECT    4   11   13   17   18                                             
CONECT    5   31   32                                                       
CONECT    6    2   29                                                       
CONECT    7   30                                                            
CONECT    8    3   33                                                       
CONECT    9    2                                                            
CONECT   10    2                                                            
CONECT   11    3    4                                                       
CONECT   12    2                                                            
CONECT   13    4   40                                                       
CONECT   14    3                                                            
CONECT   15    3                                                            
CONECT   16   39                                                            
CONECT   17    4                                                            
CONECT   18    4                                                            
CONECT   19   44                                                            
CONECT   20   47                                                            
CONECT   21   57                                                            
CONECT   22   32   34   35                                                  
CONECT   23   35   36                                                       
CONECT   24   34   43                                                       
CONECT   25   38   43                                                       
CONECT   26   38                                                            
CONECT   27   44   45                                                       
CONECT   28   47   48                                                       
CONECT   29    6   30   31                                                  
CONECT   30    7   29   32                                                  
CONECT   31    5   29   33                                                  
CONECT   32    5   22   30                                                  
CONECT   33    8   31                                                       
CONECT   34   22   24   36                                                  
CONECT   35   22   23                                                       
CONECT   36   23   34   38                                                  
CONECT   37   39   40   41   42                                             
CONECT   38   25   26   36                                                  
CONECT   39   16   37   44                                                  
CONECT   40   13   37                                                       
CONECT   41   37                                                            
CONECT   42   37                                                            
CONECT   43   24   25                                                       
CONECT   44   19   27   39                                                  
CONECT   45   27   46                                                       
CONECT   46   45   47                                                       
CONECT   47   20   28   46                                                  
CONECT   48   28   51                                                       
CONECT   49   50   52                                                       
CONECT   50   49   53                                                       
CONECT   51    1   48                                                       
CONECT   52   49   54                                                       
CONECT   53   50   55                                                       
CONECT   54   52                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57                                                       
CONECT   57    1   21   56                                                  
MASTER        0    0    0    0    0    0    0    0   57    0  118    0
END

Download
3D PDB for HMDB0003949 ((2E)-Octenoyl-CoA)
COMPND    https://cactus.nci.nih.gov/chemical/structure/CCCCC%5CC=C%5CC(=O)SCCNC(=O)CCN... 
AUTHOR    GENERATED BY OPEN BABEL 3.1.0
HETATM    1  C   UNL     1     -19.751  -6.622   0.277  1.00  0.00           C  
HETATM    2  C   UNL     1     -18.410  -5.997   0.664  1.00  0.00           C  
HETATM    3  C   UNL     1     -18.314  -4.588   0.074  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.972  -3.963   0.462  1.00  0.00           C  
HETATM    5  C   UNL     1     -16.876  -2.555  -0.128  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.555  -1.939   0.255  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.741  -1.472  -0.689  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.452  -0.871  -0.316  1.00  0.00           C  
HETATM    9  O   UNL     1     -13.129  -0.802   0.856  1.00  0.00           O  
HETATM   10  S   UNL     1     -12.374  -0.253  -1.565  1.00  0.00           S  
HETATM   11  C   UNL     1     -11.006   0.337  -0.536  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.917   0.935  -1.429  1.00  0.00           C  
HETATM   13  N   UNL     1      -8.810   1.412  -0.597  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.732   1.981  -1.171  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.678   2.098  -2.377  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.593   2.472  -0.315  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.504   3.070  -1.208  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.397   3.547  -0.376  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.319   4.116  -0.950  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.223   4.151  -2.159  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.232   4.709  -0.090  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.646   4.695   1.277  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.953   3.884  -0.245  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.253   2.415   0.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.435   4.010  -1.679  1.00  0.00           C  
HETATM   26  C   UNL     1       0.108   4.402   0.728  1.00  0.00           C  
HETATM   27  O   UNL     1       1.303   3.631   0.584  1.00  0.00           O  
HETATM   28  P   UNL     1       2.631   3.901   1.454  1.00  0.00           P  
HETATM   29  O   UNL     1       3.227   5.350   1.088  1.00  0.00           O  
HETATM   30  O   UNL     1       2.294   3.855   2.895  1.00  0.00           O  
HETATM   31  O   UNL     1       3.728   2.769   1.124  1.00  0.00           O  
HETATM   32  P   UNL     1       5.034   2.221   1.889  1.00  0.00           P  
HETATM   33  O   UNL     1       6.228   3.292   1.747  1.00  0.00           O  
HETATM   34  O   UNL     1       4.719   2.020   3.321  1.00  0.00           O  
HETATM   35  O   UNL     1       5.489   0.821   1.237  1.00  0.00           O  
HETATM   36  C   UNL     1       6.556   0.029   1.762  1.00  0.00           C  
HETATM   37  C   UNL     1       6.724  -1.230   0.909  1.00  0.00           C  
HETATM   38  H   UNL     1       5.774  -1.761   0.841  1.00  0.00           H  
HETATM   39  O   UNL     1       7.180  -0.873  -0.406  1.00  0.00           O  
HETATM   40  C   UNL     1       8.049  -1.935  -0.854  1.00  0.00           C  
HETATM   41  H   UNL     1       7.465  -2.790  -1.197  1.00  0.00           H  
HETATM   42  C   UNL     1       8.857  -2.301   0.416  1.00  0.00           C  
HETATM   43  H   UNL     1       9.683  -1.606   0.566  1.00  0.00           H  
HETATM   44  O   UNL     1       9.333  -3.647   0.348  1.00  0.00           O  
HETATM   45  C   UNL     1       7.793  -2.148   1.534  1.00  0.00           C  
HETATM   46  H   UNL     1       8.230  -1.679   2.416  1.00  0.00           H  
HETATM   47  O   UNL     1       7.234  -3.420   1.871  1.00  0.00           O  
HETATM   48  P   UNL     1       7.296  -4.039   3.356  1.00  0.00           P  
HETATM   49  O   UNL     1       6.433  -3.119   4.357  1.00  0.00           O  
HETATM   50  O   UNL     1       6.690  -5.530   3.341  1.00  0.00           O  
HETATM   51  O   UNL     1       8.702  -4.082   3.815  1.00  0.00           O  
HETATM   52  N   UNL     1       8.939  -1.460  -1.917  1.00  0.00           N  
HETATM   53  C   UNL     1       9.309  -0.168  -2.141  1.00  0.00           C  
HETATM   54  N   UNL     1      10.107  -0.105  -3.167  1.00  0.00           N  
HETATM   55  C   UNL     1      10.300  -1.351  -3.664  1.00  0.00           C  
HETATM   56  C   UNL     1       9.557  -2.235  -2.865  1.00  0.00           C  
HETATM   57  N   UNL     1       9.578  -3.534  -3.147  1.00  0.00           N  
HETATM   58  C   UNL     1      10.285  -3.989  -4.160  1.00  0.00           C  
HETATM   59  N   UNL     1      10.999  -3.196  -4.939  1.00  0.00           N  
HETATM   60  C   UNL     1      11.041  -1.884  -4.732  1.00  0.00           C  
HETATM   61  N   UNL     1      11.792  -1.062  -5.554  1.00  0.00           N  
HETATM   62  H   UNL     1     -20.564  -6.009   0.666  1.00  0.00           H  
HETATM   63  H   UNL     1     -19.826  -6.677  -0.810  1.00  0.00           H  
HETATM   64  H   UNL     1     -19.820  -7.625   0.697  1.00  0.00           H  
HETATM   65  H   UNL     1     -18.335  -5.942   1.750  1.00  0.00           H  
HETATM   66  H   UNL     1     -17.597  -6.610   0.275  1.00  0.00           H  
HETATM   67  H   UNL     1     -18.388  -4.643  -1.012  1.00  0.00           H  
HETATM   68  H   UNL     1     -19.126  -3.975   0.464  1.00  0.00           H  
HETATM   69  H   UNL     1     -16.897  -3.908   1.548  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.159  -4.577   0.073  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.951  -2.610  -1.214  1.00  0.00           H  
HETATM   72  H   UNL     1     -17.689  -1.942   0.262  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.268  -1.877   1.294  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.028  -1.534  -1.728  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.372   1.100   0.151  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.593  -0.496   0.032  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.552   0.172  -2.117  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.330   1.768  -1.998  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.854   1.319   0.368  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.958   3.235   0.373  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.180   1.639   0.253  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.139   2.307  -1.896  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.917   3.903  -1.776  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.441   3.454   0.589  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.042   5.736  -0.402  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.833   3.811   1.623  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.009   2.046  -0.631  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.342   1.828  -0.048  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.622   2.326   1.084  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.329   5.064  -1.936  1.00  0.00           H  
HETATM   91  H   UNL     1       0.534   3.517  -1.760  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.140   3.538  -2.363  1.00  0.00           H  
HETATM   93  H   UNL     1       0.322   5.448   0.510  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.261   4.312   1.750  1.00  0.00           H  
HETATM   95  H   UNL     1       3.471   5.452   0.158  1.00  0.00           H  
HETATM   96  H   UNL     1       6.487   3.474   0.833  1.00  0.00           H  
HETATM   97  H   UNL     1       7.481   0.606   1.743  1.00  0.00           H  
HETATM   98  H   UNL     1       6.327  -0.256   2.789  1.00  0.00           H  
HETATM   99  H   UNL     1       9.933  -3.815  -0.392  1.00  0.00           H  
HETATM  100  H   UNL     1       5.499  -3.045   4.117  1.00  0.00           H  
HETATM  101  H   UNL     1       6.695  -5.965   4.205  1.00  0.00           H  
HETATM  102  H   UNL     1       8.986   0.680  -1.554  1.00  0.00           H  
HETATM  103  H   UNL     1      10.281  -5.050  -4.362  1.00  0.00           H  
HETATM  104  H   UNL     1      12.295  -1.442  -6.291  1.00  0.00           H  
HETATM  105  H   UNL     1      11.816  -0.106  -5.392  1.00  0.00           H  
CONECT    1    2   62   63   64                                       
CONECT    2    1    3   65   66                                       
CONECT    3    2    4   67   68                                       
CONECT    4    3    5   69   70                                       
CONECT    5    4    6   71   72                                       
CONECT    6    5    7    7   73                                       
CONECT    7    6    6    8   74                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   75   76                                       
CONECT   12   11   13   77   78                                       
CONECT   13   12   14   79                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   17   19   84                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   23   85                                       
CONECT   22   21   86                                                 
CONECT   23   21   24   25   26                                       
CONECT   24   23   87   88   89                                       
CONECT   25   23   90   91   92                                       
CONECT   26   23   27   93   94                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   28   95                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34   34                                       
CONECT   32   35                                                      
CONECT   33   32   96                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37   97   98                                       
CONECT   37   36   38   39   45                                       
CONECT   38   37                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41   42   52                                       
CONECT   41   40                                                      
CONECT   42   40   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42   99                                                 
CONECT   45   42   46   37   47                                       
CONECT   46   45                                                      
CONECT   47   45   48                                                 
CONECT   48   47   49   50   51                                       
CONECT   48   51                                                      
CONECT   49   48  100                                                 
CONECT   50   48  101                                                 
CONECT   51   48   48                                                 
CONECT   52   40   53   56                                            
CONECT   53   52   54   54  102                                       
CONECT   54   53   53   55                                            
CONECT   55   54   56   56   60                                       
CONECT   56   55   55   52   57                                       
CONECT   57   56   58   58                                            
CONECT   58   57   57   59  103                                       
CONECT   59   58   60   60                                            
CONECT   60   59   59   55   61                                       
CONECT   61   60  104  105                                            
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   26                                                      
CONECT   95   29                                                      
CONECT   96   33                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   44                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   53                                                      
CONECT  103   58                                                      
CONECT  104   61                                                      
CONECT  105   61                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END

Download
SMILES for HMDB0003949 ((2E)-Octenoyl-CoA)
CCCCC\C=C\C(=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
Download
INCHI for HMDB0003949 ((2E)-Octenoyl-CoA)
InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(e)-S-2-OctenoateHMDB
(e)-S-2-Octenoate CoAHMDB
(e)-S-2-Octenoate coenzyme AHMDB
(e)-S-2-Octenoic acidHMDB
2,3-trans-Octenoyl coenzyme AHMDB
Oct-2-trans-enoyl-CoAHMDB
Oct-2-trans-enoyl-coenzyme AHMDB
Oct-trans-2-enoyl coenzyme AHMDB
S-(2E)-2-OctenoateHMDB
S-(2E)-2-Octenoate CoAHMDB
S-(2E)-2-Octenoate coenzyme AHMDB
S-(2E)-2-Octenoic acidHMDB
trans-D2,3-Octenoyl-CoAHMDB
trans-D2,3-Octenoyl-coenzyme AHMDB
trans-Oct-2-enoyl-CoAHMDB
trans-Oct-2-enoyl-coenzyme AHMDB
Chemical FormulaC29H48N7O17P3S
Average Molecular Weight891.714
Monoisotopic Molecular Weight891.204023371
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
CAS Registry Number10018-94-7
SMILES
CCCCC\C=C\C(=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/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1
InChI KeyCPSDNAXXKWVYIY-DPSCIZRPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassFatty Acyls  
Sub ClassFatty acyl thioesters  
Direct ParentMedium-chain 2-enoyl 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 Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-1.281Not Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.13 g/LALOGPS
logP0.55ALOGPS
logP-3.8ChemAxon
logS-2.4ALOGPS
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 Count25ChemAxon
Refractivity200.93 m³·mol⁻¹ChemAxon
Polarizability81.26 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Spectral Properties
Collision Cross Sections
NameAdductTypeData SourceValueReference
Retention Indices
Underivatized
Not Available
Derivatized
Not Available
Spectra
LC-MS/MS
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Positivesplash10-000i-1912000120-6a4c400b3152685ddc422015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Positivesplash10-000i-0933000000-6bfba9e629e0c41c1c832015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Positivesplash10-000i-1911000000-7bd78cc2705414ac12aa2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  10V, Negativesplash10-00gl-3911030340-0a6b8d53ed19f026db3f2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  20V, Negativesplash10-00ai-3910010010-8cc155429b1ae945edc02015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum -  40V, Negativesplash10-057i-6900000000-8852cd72aadbe50cd70b2015-09-15View Spectrum
Biological Properties
Cellular Locations
  • Extracellular
    • 

  • Membrane
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 IDFDB023268  
KNApSAcK IDNot Available
Chemspider ID4444335  
KEGG Compound IDC05276  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5280769  
PDB IDNot Available
ChEBI ID27537  
Food Biomarker OntologyNot Available
VMH IDHC01415  
MarkerDB IDNot Available
References
Synthesis ReferenceReiser, S. E.; Gruys, K. J.; Mitsky, T. A.  Characterization and cloning of an (R)-specific trans-2,3-enoylacyl-CoA hydratase from Rhodospirillum rubrum and use of this enzyme for PHA production in Escherichia coli.    Applied Microbiology and Biotechnology  (2000),  53(2),  209-218.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Tajima G, Sakura N, Yofune H, Nishimura Y, Ono H, Hasegawa Y, Hata I, Kimura M, Yamaguchi S, Shigematsu Y, Kobayashi M: Enzymatic diagnosis of medium-chain acyl-CoA dehydrogenase deficiency by detecting 2-octenoyl-CoA production using high-performance liquid chromatography: a practical confirmatory test for tandem mass spectrometry newborn screening in Japan. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Sep 5;823(2):122-30. [PubMed:16046200  ] 
  2. Cummings JG, Lau SM, Powell PJ, Thorpe C: Reductive half-reaction in medium-chain acyl-CoA dehydrogenase: modulation of internal equilibrium by carboxymethylation of a specific methionine residue. Biochemistry. 1992 Sep 15;31(36):8523-9. [PubMed:1390638  ] 
  3. Kumar NR, Srivastava DK: Reductive half-reaction of medium-chain fatty acyl-CoA dehydrogenase utilizing octanoyl-CoA/octenoyl-CoA as a physiological substrate/product pair: similarity in the microscopic pathways of octanoyl-CoA oxidation and octenoyl-CoA binding. Biochemistry. 1994 Jul 26;33(29):8833-41. [PubMed:8038175  ] 
  Only showing the first  10 proteins. There  are 114 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
  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
  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
  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
Octanoyl-CoA + FAD → (2E)-Octenoyl-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
Octanoyl-CoA + FAD → (2E)-Octenoyl-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
Octanoyl-CoA + FAD → (2E)-Octenoyl-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 114 proteins in total. 
Show all enzymes and transporters