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Showing metabocard for 5-Methylhexanoic acid (HMDB0031595)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:44:15 UTC
Update Date2023-02-21 17:20:56 UTC
HMDB IDHMDB0031595
Secondary Accession Numbers
  • HMDB31595
Metabolite Identification
Common Name5-Methylhexanoic acid
Description5-Methylhexanoic acid, also known as 5-methylhexanoate or isoamylacetic acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Based on a literature review a small amount of articles have been published on 5-Methylhexanoic acid.
Structure
Data?1677000056
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031595 (5-Methylhexanoic acid)


  Mrv0541 05061306012D          

  9  8  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
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3D MOL for HMDB0031595 (5-Methylhexanoic acid)

HMDB0031595
     RDKit          3D
5-Methylhexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.8086    1.3221    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -0.1858    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -0.6318   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669   -0.5479   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196   -0.0624    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523   -0.4703   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.0215    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -0.3909    1.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2317    0.7976   -0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691    1.6612    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582    1.8340   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    1.6687    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959   -0.6416    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7504   -0.1575   -0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329   -1.7482   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -0.4116   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -1.6550   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145   -0.1099   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896   -0.4797    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    1.0398    0.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -0.1718   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -1.6062   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.9687   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  END
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3D SDF for HMDB0031595 (5-Methylhexanoic acid)


  Mrv0541 05061306012D          

  9  8  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031595

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

> <INCHI_KEY>
MHPUGCYGQWGLJL-UHFFFAOYSA-N

> <FORMULA>
C7H14O2

> <MOLECULAR_WEIGHT>
130.1849

> <EXACT_MASS>
130.099379692

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
15.0940159833921

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-methylhexanoic acid

> <ALOGPS_LOGP>
2.22

> <JCHEM_LOGP>
2.0979152239999994

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.14789086588612

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
35.6222

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.93e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methylhexanoic acid

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0031595 (5-Methylhexanoic acid)

HMDB0031595
     RDKit          3D
5-Methylhexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.8086    1.3221    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -0.1858    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -0.6318   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669   -0.5479   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196   -0.0624    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523   -0.4703   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.0215    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -0.3909    1.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2317    0.7976   -0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691    1.6612    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582    1.8340   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    1.6687    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959   -0.6416    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7504   -0.1575   -0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329   -1.7482   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -0.4116   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -1.6550   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145   -0.1099   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896   -0.4797    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    1.0398    0.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -0.1718   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -1.6062   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.9687   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  END
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PDB for HMDB0031595 (5-Methylhexanoic acid)

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       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.620   1.127   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    6                                                            
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    1    2    4                                                  
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0031595 (5-Methylhexanoic acid)

COMPND    HMDB0031595
HETATM    1  C1  UNL     1      -1.809   1.322   0.501  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.693  -0.186   0.398  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.782  -0.632  -0.557  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.367  -0.548  -0.261  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.820  -0.062   0.498  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.052  -0.470  -0.272  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.266  -0.021   0.434  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.428  -0.391   1.628  1.00  0.00           O  
HETATM    9  O2  UNL     1       4.232   0.798  -0.181  1.00  0.00           O  
HETATM   10  H1  UNL     1      -2.869   1.661   0.406  1.00  0.00           H  
HETATM   11  H2  UNL     1      -1.258   1.834  -0.329  1.00  0.00           H  
HETATM   12  H3  UNL     1      -1.464   1.669   1.506  1.00  0.00           H  
HETATM   13  H4  UNL     1      -1.796  -0.642   1.388  1.00  0.00           H  
HETATM   14  H5  UNL     1      -3.750  -0.158  -0.301  1.00  0.00           H  
HETATM   15  H6  UNL     1      -2.833  -1.748  -0.489  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.461  -0.412  -1.599  1.00  0.00           H  
HETATM   17  H8  UNL     1      -0.280  -1.655  -0.369  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.414  -0.110  -1.280  1.00  0.00           H  
HETATM   19  H10 UNL     1       0.890  -0.480   1.520  1.00  0.00           H  
HETATM   20  H11 UNL     1       0.841   1.040   0.624  1.00  0.00           H  
HETATM   21  H12 UNL     1       2.029  -0.172  -1.323  1.00  0.00           H  
HETATM   22  H13 UNL     1       2.098  -1.606  -0.292  1.00  0.00           H  
HETATM   23  H14 UNL     1       4.121   0.969  -1.175  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    4   13
CONECT    3   14   15   16
CONECT    4    5   17   18
CONECT    5    6   19   20
CONECT    6    7   21   22
CONECT    7    8    8    9
CONECT    9   23
END
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SMILES for HMDB0031595 (5-Methylhexanoic acid)

CC(C)CCCC(O)=O
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INCHI for HMDB0031595 (5-Methylhexanoic acid)

InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
5-MethylhexanoateGenerator
5-Methylhexylic acidMeSH
Isoamylacetic acidMeSH
Isoenanthic acidMeSH
Isoheptanoic acidMeSH
5-Methyl hexanoic acidHMDB
5-Methyl-hexanoic acidHMDB
5-Methylcaproic acidHMDB
FEMA 3572HMDB
Isovenanthic acidHMDB
5-Methyl-hexanoateGenerator
5-Methylhexanoic acidMeSH
Chemical FormulaC7H14O2
Average Molecular Weight130.1849
Monoisotopic Molecular Weight130.099379692
IUPAC Name5-methylhexanoic acid
Traditional Name5-methylhexanoic acid
CAS Registry Number628-46-6
SMILES
CC(C)CCCC(O)=O
InChI Identifier
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI KeyMHPUGCYGQWGLJL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Branched fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • 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< -25 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.93 g/LALOGPS
logP2.22ALOGPS
logP2.1ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)5.15ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity35.62 m³·mol⁻¹ChemAxon
Polarizability15.09 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+129.80831661259
DarkChem[M-H]-125.85731661259
DeepCCS[M+H]+133.24430932474
DeepCCS[M-H]-130.38530932474
DeepCCS[M-2H]-166.77430932474
DeepCCS[M+Na]+141.90230932474
AllCCS[M+H]+131.232859911
AllCCS[M+H-H2O]+127.132859911
AllCCS[M+NH4]+135.132859911
AllCCS[M+Na]+136.232859911
AllCCS[M-H]-132.732859911
AllCCS[M+Na-2H]-135.532859911
AllCCS[M+HCOO]-138.632859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.4.16 minutes32390414
Predicted by Siyang on May 30, 202213.3369 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.86 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid29.7 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1786.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid417.9 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid147.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid266.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid246.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid547.5 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid551.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)128.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1044.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid390.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1268.3 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid356.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid363.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate415.2 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA393.2 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water72.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-Methylhexanoic acidCC(C)CCCC(O)=O1854.5Standard polar33892256
5-Methylhexanoic acidCC(C)CCCC(O)=O1010.1Standard non polar33892256
5-Methylhexanoic acidCC(C)CCCC(O)=O1065.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-Methylhexanoic acid,1TMS,isomer #1CC(C)CCCC(=O)O[Si](C)(C)C1137.0Semi standard non polar33892256
5-Methylhexanoic acid,1TBDMS,isomer #1CC(C)CCCC(=O)O[Si](C)(C)C(C)(C)C1359.3Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • 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 IDFDB008226
KNApSAcK IDNot Available
Chemspider ID11839
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12344
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.