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Showing metabocard for Octyl propanoate (HMDB0034134)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:55:48 UTC
Update Date2023-02-21 17:23:54 UTC
HMDB IDHMDB0034134
Secondary Accession Numbers
  • HMDB34134
Metabolite Identification
Common NameOctyl propanoate
DescriptionOctyl propanoate belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Based on a literature review a small amount of articles have been published on Octyl propanoate.
Structure
Data?1677000234
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034134 (Octyl propanoate)

  Mrv0541 05061307362D          

 13 12  0  0  0  0            999 V2000
   -5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0034134 (Octyl propanoate)

HMDB0034134
     RDKit          3D
Octyl propanoate
 35 34  0  0  0  0  0  0  0  0999 V2000
    4.1962    1.2377   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.7687    0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -0.6646    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878   -0.8447    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -0.0466    0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968   -0.1723    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -1.5864    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -1.8416   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -1.2359   -0.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4877    0.0293   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    0.8939   -0.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8038    0.4547    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672    1.9286   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620    1.9472   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283    1.8163   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.3756   -1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    1.4157    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1482    0.7419    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3618   -1.3303    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -0.9789    1.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -0.5631   -1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -1.9299    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661    1.0416    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.3623    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.4615    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1039    0.3003   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -2.0504    1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.1630   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -2.9731   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6641   -1.7515   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8364    0.2401    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5895   -0.1178   -0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9694    2.4255   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5462    2.0752   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4113    2.4587    0.8583 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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END
Download

3D SDF for HMDB0034134 (Octyl propanoate)

  Mrv0541 05061307362D          

 13 12  0  0  0  0            999 V2000
   -5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034134

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCOC(=O)CC

> <INCHI_IDENTIFIER>
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3

> <INCHI_KEY>
CEQGYPPMTKWBIU-UHFFFAOYSA-N

> <FORMULA>
C11H22O2

> <MOLECULAR_WEIGHT>
186.2912

> <EXACT_MASS>
186.161979948

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
23.811021006170137

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
octyl propanoate

> <ALOGPS_LOGP>
4.48

> <JCHEM_LOGP>
3.725257863333333

> <ALOGPS_LOGS>
-3.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.02967652910921

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
54.31730000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.33e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
propanoic acid, octyl ester

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0034134 (Octyl propanoate)

HMDB0034134
     RDKit          3D
Octyl propanoate
 35 34  0  0  0  0  0  0  0  0999 V2000
    4.1962    1.2377   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.7687    0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -0.6646    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878   -0.8447    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -0.0466    0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968   -0.1723    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -1.5864    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -1.8416   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -1.2359   -0.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4877    0.0293   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    0.8939   -0.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8038    0.4547    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672    1.9286   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620    1.9472   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283    1.8163   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.3756   -1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4540    1.4157    1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1482    0.7419    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3618   -1.3303    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -0.9789    1.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -0.5631   -1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0659   -1.9299    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661    1.0416    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.3623    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.4615    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1039    0.3003   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248   -2.0504    1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -2.1630   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -2.9731   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6641   -1.7515   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8364    0.2401    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5895   -0.1178   -0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9694    2.4255   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5462    2.0752   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4113    2.4587    0.8583 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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END
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PDB for HMDB0034134 (Octyl propanoate)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -9.597   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.073   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.264   4.771   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.739   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.930   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.596   4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.263   4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.929   4.771   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.595   4.001   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.262   4.771   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.406   4.771   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.406   6.311   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.072   4.001   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    4                                                            
CONECT    3    1    5                                                       
CONECT    4    2   11                                                       
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   13                                                       
CONECT   11    4   12   13                                                  
CONECT   12   11                                                            
CONECT   13   10   11                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0034134 (Octyl propanoate)

COMPND    HMDB0034134
HETATM    1  C1  UNL     1       4.196   1.238  -0.709  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.087   0.769   0.739  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.639  -0.665   0.717  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.288  -0.845   0.027  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.274  -0.047   0.767  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.097  -0.172   0.083  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.567  -1.586   0.056  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.861  -1.842  -0.614  1.00  0.00           C  
HETATM    9  O1  UNL     1      -3.008  -1.236  -0.217  1.00  0.00           O  
HETATM   10  C9  UNL     1      -3.488   0.029  -0.286  1.00  0.00           C  
HETATM   11  O2  UNL     1      -2.774   0.894  -0.846  1.00  0.00           O  
HETATM   12  C10 UNL     1      -4.804   0.455   0.260  1.00  0.00           C  
HETATM   13  C11 UNL     1      -4.967   1.929  -0.014  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.362   1.947  -0.937  1.00  0.00           H  
HETATM   15  H2  UNL     1       5.128   1.816  -0.858  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.213   0.376  -1.408  1.00  0.00           H  
HETATM   17  H4  UNL     1       3.454   1.416   1.341  1.00  0.00           H  
HETATM   18  H5  UNL     1       5.148   0.742   1.124  1.00  0.00           H  
HETATM   19  H6  UNL     1       4.362  -1.330   0.221  1.00  0.00           H  
HETATM   20  H7  UNL     1       3.461  -0.979   1.782  1.00  0.00           H  
HETATM   21  H8  UNL     1       2.382  -0.563  -1.026  1.00  0.00           H  
HETATM   22  H9  UNL     1       2.066  -1.930   0.123  1.00  0.00           H  
HETATM   23  H10 UNL     1       1.566   1.042   0.731  1.00  0.00           H  
HETATM   24  H11 UNL     1       1.172  -0.362   1.821  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.819   0.461   0.715  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.104   0.300  -0.912  1.00  0.00           H  
HETATM   27  H14 UNL     1      -0.525  -2.050   1.097  1.00  0.00           H  
HETATM   28  H15 UNL     1       0.263  -2.163  -0.480  1.00  0.00           H  
HETATM   29  H16 UNL     1      -2.031  -2.973  -0.528  1.00  0.00           H  
HETATM   30  H17 UNL     1      -1.664  -1.752  -1.729  1.00  0.00           H  
HETATM   31  H18 UNL     1      -4.836   0.240   1.369  1.00  0.00           H  
HETATM   32  H19 UNL     1      -5.590  -0.118  -0.273  1.00  0.00           H  
HETATM   33  H20 UNL     1      -3.969   2.426  -0.184  1.00  0.00           H  
HETATM   34  H21 UNL     1      -5.546   2.075  -0.940  1.00  0.00           H  
HETATM   35  H22 UNL     1      -5.411   2.459   0.858  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8   27   28
CONECT    8    9   29   30
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   13   31   32
CONECT   13   33   34   35
END
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SMILES for HMDB0034134 (Octyl propanoate)

CCCCCCCCOC(=O)CC
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INCHI for HMDB0034134 (Octyl propanoate)

InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Octyl propanoic acidGenerator
FEMA 2813HMDB
N-Octyl propanoateHMDB
N-Octyl propionateHMDB
Octyl propionateHMDB
Propanoic acid, octyl esterHMDB
Propionic acid, octyl esterHMDB
Propionic acid, octyl ester (8ci)HMDB
Chemical FormulaC11H22O2
Average Molecular Weight186.2912
Monoisotopic Molecular Weight186.161979948
IUPAC Nameoctyl propanoate
Traditional Namepropanoic acid, octyl ester
CAS Registry Number142-60-9
SMILES
CCCCCCCCOC(=O)CC
InChI Identifier
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChI KeyCEQGYPPMTKWBIU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohol esters
Direct ParentFatty alcohol esters
Alternative Parents
Substituents
  • Fatty alcohol 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 DescriptorsNot Available
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-42.6 °CNot Available
Boiling Point228.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility10.87 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.352 (est)The Good Scents Company Information System
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012408
KNApSAcK IDC00057059
Chemspider ID55048
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61096
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1033401
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.