Hmdb loader

Showing metabocard for Methyl nonanoate (HMDB0031264)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:59 UTC
Update Date2023-02-21 17:20:14 UTC
HMDB IDHMDB0031264
Secondary Accession Numbers
  • HMDB31264
Metabolite Identification
Common NameMethyl nonanoate
DescriptionMethyl nonanoate, also known as methyl pelargonate or 1-nonanecarboxylate, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Methyl nonanoate can be obtained from the formal condensation of methanol and nonanoic acid. It is a colourless, oily liquid with a fruity, tropical or pear-like odour, used in perfumes and flavours. It has a waxy, wine-like, green celery flavour. Methyl nonanoate is a very hydrophobic molecule, with a high boiling point of 213 oC. It is practically insoluble in water with a measured water solubility of just 22.5 mgl/L. Outside the human body, methyl nonanoate is found in a number of foods including apples, bananas, blackberries, butter, blue cheese, grapes, hop oil, pineapples, baked potatoes, star fruit, strawberries, tobacco, vanilla and white wine. Methyl nonanoate exhibits nematicidal activity against root-knot and soybean cyst nematodes and was found to be toxic to nematodes at concentrations as low as 0.2 uL a.i./litre (PMID: 19274268 ).
Structure
Data?1677000013
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031264 (Methyl nonanoate)

NON
  Mrv1652305271900212D          

 12 11  0  0  0  0            999 V2000
    2.8556   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8605   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -0.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -1.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0031264 (Methyl nonanoate)

HMDB0031264
     RDKit          3D
Methyl nonanoate
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.3631    0.3603   -1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -0.5247    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9696   -1.2122    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102   -0.2434    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5748   -1.0728    0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -0.2790    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.6067   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    1.3841   -0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317    0.5775   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -0.6644   -0.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    1.1676   -0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630    0.4328    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6177    1.3990   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2116    0.0935   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    0.3631   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526   -1.3405   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5890    0.0047    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -1.9559   -0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -1.7827    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2969   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720    0.4646    1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785   -1.6920   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6649   -1.7059    1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095   -1.0326    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    0.2975    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    1.2603   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0009   -1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    1.9975    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    2.1411   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    0.5503   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212    0.7611    0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.6516    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
M  END
Download

3D SDF for HMDB0031264 (Methyl nonanoate)

NON
  Mrv1652305271900212D          

 12 11  0  0  0  0            999 V2000
    2.8556   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461   -1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8605   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -0.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -1.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   -1.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031264

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCC(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

> <INCHI_KEY>
IJXHLVMUNBOGRR-UHFFFAOYSA-N

> <FORMULA>
C10H20O2

> <MOLECULAR_WEIGHT>
172.2646

> <EXACT_MASS>
172.146329884

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
21.667003750042227

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl nonanoate

> <ALOGPS_LOGP>
3.96

> <JCHEM_LOGP>
3.2904961786666655

> <ALOGPS_LOGS>
-3.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.0239806136690355

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
49.6457

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl nonanoate (ester)

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031264 (Methyl nonanoate)

HMDB0031264
     RDKit          3D
Methyl nonanoate
 32 31  0  0  0  0  0  0  0  0999 V2000
   -4.3631    0.3603   -1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -0.5247    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9696   -1.2122    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102   -0.2434    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5748   -1.0728    0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -0.2790    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.6067   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073    1.3841   -0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317    0.5775   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -0.6644   -0.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    1.1676   -0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630    0.4328    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6177    1.3990   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2116    0.0935   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    0.3631   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526   -1.3405   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5890    0.0047    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -1.9559   -0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -1.7827    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.2969   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720    0.4646    1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785   -1.6920   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6649   -1.7059    1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095   -1.0326    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    0.2975    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    1.2603   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0009   -1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    1.9975    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    2.1411   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    0.5503   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212    0.7611    0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.6516    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
M  END
Download

PDB for HMDB0031264 (Methyl nonanoate)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NON                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0       5.330  -2.569   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.997  -3.339   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.663  -2.569   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.329  -3.339   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.005  -2.569   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.338  -3.339   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.672  -2.569   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.006  -3.339   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.340  -2.569   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.330  -1.029   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       6.664  -3.339   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.998  -2.569   0.000  0.00  0.00           C+0
CONECT    1    2   10   11                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    1                                                            
CONECT   11    1   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
Download

3D PDB for HMDB0031264 (Methyl nonanoate)

COMPND    HMDB0031264
HETATM    1  C1  UNL     1      -4.363   0.360  -1.071  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.286  -0.525   0.142  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.970  -1.212   0.287  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.810  -0.243   0.409  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.575  -1.073   0.544  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.707  -0.279   0.680  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.948   0.607  -0.509  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.207   1.384  -0.356  1.00  0.00           C  
HETATM    9  C9  UNL     1       3.432   0.578  -0.266  1.00  0.00           C  
HETATM   10  O1  UNL     1       3.411  -0.664  -0.382  1.00  0.00           O  
HETATM   11  O2  UNL     1       4.666   1.168  -0.046  1.00  0.00           O  
HETATM   12  C10 UNL     1       5.863   0.433   0.046  1.00  0.00           C  
HETATM   13  H1  UNL     1      -4.618   1.399  -0.707  1.00  0.00           H  
HETATM   14  H2  UNL     1      -5.212   0.094  -1.743  1.00  0.00           H  
HETATM   15  H3  UNL     1      -3.453   0.363  -1.682  1.00  0.00           H  
HETATM   16  H4  UNL     1      -5.053  -1.340  -0.008  1.00  0.00           H  
HETATM   17  H5  UNL     1      -4.589   0.005   1.066  1.00  0.00           H  
HETATM   18  H6  UNL     1      -2.780  -1.956  -0.497  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.004  -1.783   1.257  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.738   0.297  -0.567  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.972   0.465   1.232  1.00  0.00           H  
HETATM   22  H10 UNL     1      -0.478  -1.692  -0.373  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.665  -1.706   1.448  1.00  0.00           H  
HETATM   24  H12 UNL     1       1.509  -1.033   0.744  1.00  0.00           H  
HETATM   25  H13 UNL     1       0.747   0.297   1.621  1.00  0.00           H  
HETATM   26  H14 UNL     1       0.071   1.260  -0.693  1.00  0.00           H  
HETATM   27  H15 UNL     1       1.079  -0.001  -1.455  1.00  0.00           H  
HETATM   28  H16 UNL     1       2.168   1.998   0.583  1.00  0.00           H  
HETATM   29  H17 UNL     1       2.313   2.141  -1.183  1.00  0.00           H  
HETATM   30  H18 UNL     1       6.446   0.550  -0.907  1.00  0.00           H  
HETATM   31  H19 UNL     1       6.421   0.761   0.936  1.00  0.00           H  
HETATM   32  H20 UNL     1       5.575  -0.652   0.146  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3   16   17
CONECT    3    4   18   19
CONECT    4    5   20   21
CONECT    5    6   22   23
CONECT    6    7   24   25
CONECT    7    8   26   27
CONECT    8    9   28   29
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   30   31   32
END
Download

SMILES for HMDB0031264 (Methyl nonanoate)

CCCCCCCCC(=O)OC
Download

INCHI for HMDB0031264 (Methyl nonanoate)

InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
1-Nonanecarboxylic acidChEBI
Methyl ester nonanoic acidChEBI
Methyl N-nonanoateChEBI
Methyl nonylateChEBI
Methyl pelargonateChEBI
Pelargonic acid methyl esterChEBI
1-NonanecarboxylateGenerator
Methyl ester nonanoateGenerator
Methyl N-nonanoic acidGenerator
Methyl nonylic acidGenerator
Methyl pelargonic acidGenerator
Pelargonate methyl esterGenerator
Methyl nonanoic acidGenerator
FEMA 2724HMDB
Nonanoic acid methyl esterHMDB
Methyl nonanoic acid (ester)Generator, HMDB
Chemical FormulaC10H20O2
Average Molecular Weight172.2646
Monoisotopic Molecular Weight172.146329884
IUPAC Namemethyl nonanoate
Traditional Namemethyl nonanoate (ester)
CAS Registry Number1731-84-6
SMILES
CCCCCCCCC(=O)OC
InChI Identifier
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChI KeyIJXHLVMUNBOGRR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid methyl esters
Alternative Parents
Substituents
  • Fatty acid methyl ester
  • Methyl ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-35 °CNot Available
Boiling Point213.00 to 214.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.023 mg/mL at 25 °CNot Available
LogP4.32Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDDB01631
Phenol Explorer Compound IDNot Available
FooDB IDFDB003305
KNApSAcK IDC00049004
Chemspider ID14846
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15606
PDB IDNON
ChEBI ID44499
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1032801
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Davis EL, Meyers DM, Dullum CJ, Feitelson JS: Nematicidal Activity of Fatty Acid Esters on Soybean Cyst and Root-knot Nematodes. J Nematol. 1997 Dec;29(4S):677-84. [PubMed:19274268 ]
  6. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.