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Showing metabocard for 2-Ethylpyrazine (HMDB0031849)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:45:57 UTC
Update Date2023-02-21 17:21:22 UTC
HMDB IDHMDB0031849
Secondary Accession Numbers
  • HMDB31849
Metabolite Identification
Common Name2-Ethylpyrazine
Description2-Ethylpyrazine, also known as fema 3281 or moldin, belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-Ethylpyrazine is a bitter, cocoa, and musty tasting compound. 2-Ethylpyrazine has been detected, but not quantified, in several different foods, such as asparagus, pulses, cocoa and cocoa products, cereals and cereal products, and tortilla chips.
Structure
Data?1677000082
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031849 (2-Ethylpyrazine)


  Mrv1652304272019192D          

  8  8  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
M  END
Download

3D MOL for HMDB0031849 (2-Ethylpyrazine)

HMDB0031849
     RDKit          3D
2-Ethylpyrazine
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.2812    0.2147    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -0.8386   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -0.3298   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    0.3663   -1.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883    0.8034   -1.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.5970    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0224   -0.1073    1.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559   -0.5529    0.9344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    0.6919   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    1.0276    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.2102    1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -1.1718   -1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -1.7133    0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.5524   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543    0.9461    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.2753    1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
M  END
Download

3D SDF for HMDB0031849 (2-Ethylpyrazine)


  Mrv1652304272019192D          

  8  8  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031849

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1=NC=CN=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3

> <INCHI_KEY>
KVFIJIWMDBAGDP-UHFFFAOYSA-N

> <FORMULA>
C6H8N2

> <MOLECULAR_WEIGHT>
108.1411

> <EXACT_MASS>
108.068748266

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.662644797923807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethylpyrazine

> <ALOGPS_LOGP>
0.87

> <JCHEM_LOGP>
0.36980697799999995

> <ALOGPS_LOGS>
0.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.270611241657058

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
30.9626

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ethyl pyrazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031849 (2-Ethylpyrazine)

HMDB0031849
     RDKit          3D
2-Ethylpyrazine
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.2812    0.2147    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -0.8386   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -0.3298   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    0.3663   -1.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883    0.8034   -1.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.5970    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0224   -0.1073    1.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559   -0.5529    0.9344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    0.6919   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    1.0276    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.2102    1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -1.1718   -1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -1.7133    0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.5524   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543    0.9461    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.2753    1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
M  END
Download

PDB for HMDB0031849 (2-Ethylpyrazine)

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  C   UNK     0      -3.850   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.080   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.770   1.334   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -0.770  -1.334   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    6                                                       
CONECT    3    4    7                                                       
CONECT    4    3    8                                                       
CONECT    5    6    7                                                       
CONECT    6    2    5    8                                                  
CONECT    7    3    5                                                       
CONECT    8    4    6                                                       
MASTER        0    0    0    0    0    0    0    0    8    0   16    0
END
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3D PDB for HMDB0031849 (2-Ethylpyrazine)

COMPND    HMDB0031849
HETATM    1  C1  UNL     1       2.281   0.215   0.290  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.345  -0.839  -0.246  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.037  -0.330  -0.179  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.626   0.366  -1.209  1.00  0.00           C  
HETATM    5  N1  UNL     1      -1.888   0.803  -1.084  1.00  0.00           N  
HETATM    6  C5  UNL     1      -2.635   0.597   0.018  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.022  -0.107   1.044  1.00  0.00           C  
HETATM    8  N2  UNL     1      -0.756  -0.553   0.934  1.00  0.00           N  
HETATM    9  H1  UNL     1       2.887   0.692  -0.512  1.00  0.00           H  
HETATM   10  H2  UNL     1       1.732   1.028   0.807  1.00  0.00           H  
HETATM   11  H3  UNL     1       3.023  -0.210   1.021  1.00  0.00           H  
HETATM   12  H4  UNL     1       1.627  -1.172  -1.269  1.00  0.00           H  
HETATM   13  H5  UNL     1       1.409  -1.713   0.430  1.00  0.00           H  
HETATM   14  H6  UNL     1      -0.062   0.552  -2.107  1.00  0.00           H  
HETATM   15  H7  UNL     1      -3.654   0.946   0.127  1.00  0.00           H  
HETATM   16  H8  UNL     1      -2.623  -0.275   1.935  1.00  0.00           H  
CONECT    1    2    9   10   11
CONECT    2    3   12   13
CONECT    3    4    4    8
CONECT    4    5   14
CONECT    5    6    6
CONECT    6    7   15
CONECT    7    8    8   16
END
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SMILES for HMDB0031849 (2-Ethylpyrazine)

CCC1=NC=CN=C1
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INCHI for HMDB0031849 (2-Ethylpyrazine)

InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Ethyl-1,4-diazineChEBI
FEMA 3281ChEBI
FEMA no. 3281ChEBI
2-Ethyl-pyrazineHMDB
Ethyl-pyrazineHMDB
EthylpyrazineHMDB
MoldinHMDB
Chemical FormulaC6H8N2
Average Molecular Weight108.1411
Monoisotopic Molecular Weight108.068748266
IUPAC Name2-ethylpyrazine
Traditional Name2-ethyl pyrazine
CAS Registry Number13925-00-3
SMILES
CCC1=NC=CN=C1
InChI Identifier
InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChI KeyKVFIJIWMDBAGDP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point152.00 to 153.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility28410 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.69Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility206 g/LALOGPS
logP0.87ALOGPS
logP0.37ChemAxon
logS0.28ALOGPS
pKa (Strongest Basic)1.27ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity30.96 m³·mol⁻¹ChemAxon
Polarizability11.66 ųChemAxon
Number of Rings1ChemAxon
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]+120.69831661259
DarkChem[M-H]-118.73331661259
DeepCCS[M+H]+125.44830932474
DeepCCS[M-H]-122.65330932474
DeepCCS[M-2H]-158.98830932474
DeepCCS[M+Na]+133.77930932474
AllCCS[M+H]+121.632859911
AllCCS[M+H-H2O]+116.632859911
AllCCS[M+NH4]+126.332859911
AllCCS[M+Na]+127.632859911
AllCCS[M-H]-122.632859911
AllCCS[M+Na-2H]-125.232859911
AllCCS[M+HCOO]-128.132859911

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, 2022.1.87 minutes32390414
Predicted by Siyang on May 30, 20229.1039 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.62 minutes32390414

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-EthylpyrazineCCC1=CN=CC=N11329.2Standard polar33892256
2-EthylpyrazineCCC1=CN=CC=N1871.3Standard non polar33892256
2-EthylpyrazineCCC1=CN=CC=N1923.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - 2-Ethylpyrazine EI-B (Non-derivatized)splash10-0a4i-9700000000-f6a542b90b45a0c8ac2d2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 2-Ethylpyrazine EI-B (Non-derivatized)splash10-0a4i-9700000000-f6a542b90b45a0c8ac2d2018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylpyrazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0apl-9200000000-25b4ee3d8e2ba3fc07cc2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Ethylpyrazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0a4i-8900000000-2b2fb4b75d5a265c37012015-03-01Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 2V, positive-QTOFsplash10-0a4i-0900000000-73c19aad05b8b627b0792020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 2V, positive-QTOFsplash10-0a4i-0900000000-9dbcc965c21302f00ad82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 3V, positive-QTOFsplash10-0a4i-3900000000-ff310f3a4ddde4509faf2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 4V, positive-QTOFsplash10-0a4l-9700000000-73ee1cfd06dee0f717a72020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 4V, positive-QTOFsplash10-0006-9200000000-8af6806d15845b24ac0c2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 6V, positive-QTOFsplash10-0006-9000000000-22d67cc4f9c8b59569712020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 2-Ethylpyrazine Orbitrap 7V, positive-QTOFsplash10-0006-9000000000-e60227e8966ba4acab5b2020-07-22HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 10V, Positive-QTOFsplash10-0a4i-0900000000-3524228f918635f67c862017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 20V, Positive-QTOFsplash10-0a4i-2900000000-21aac0dee54f62a0c1942017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 40V, Positive-QTOFsplash10-0udl-9000000000-272487c72d5e01923b922017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 10V, Negative-QTOFsplash10-0a4i-0900000000-c5a08a210c001d84b6fa2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 20V, Negative-QTOFsplash10-0a4i-1900000000-d64b8d4f12c29a9cfab62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 40V, Negative-QTOFsplash10-0zi0-9100000000-3323ef05a3b140f4267d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 10V, Positive-QTOFsplash10-0a4i-0900000000-0f7e6606314edbd6492a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 20V, Positive-QTOFsplash10-0a59-9100000000-0569dce285f23f88a8602021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 40V, Positive-QTOFsplash10-0k9x-9000000000-c829b99a10ea0920c8af2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 10V, Negative-QTOFsplash10-0a4i-0900000000-1d4d8b4513a0185581992021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 20V, Negative-QTOFsplash10-0a4i-4900000000-cda59e7539ac96643c352021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Ethylpyrazine 40V, Negative-QTOFsplash10-0006-9000000000-2d5c95c2c8a4203257142021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB008533
KNApSAcK IDNot Available
Chemspider ID24533
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound26331
PDB IDNot Available
ChEBI ID73232
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1008381
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Rappert S, Li R, Kokova M, Antholz M, Nagorny S, Francke W, Muller R: Degradation of 2,5-dimethylpyrazine by Rhodococcus erythropolis strain DP-45 isolated from a waste gas treatment plant of a fishmeal processing company. Biodegradation. 2007 Oct;18(5):585-96. Epub 2006 Nov 22. [PubMed:17120096 ]
  2. Melkonian G, Eckelhoefer H, Wu M, Wang Y, Tong C, Riveles K, Talbot P: Growth and angiogenesis are inhibited in vivo in developing tissues by pyrazine and its derivatives. Toxicol Sci. 2003 Oct;75(2):393-401. Epub 2003 May 28. [PubMed:12773771 ]
  3. Fan W, Qian MC: Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis. J Agric Food Chem. 2006 Apr 5;54(7):2695-704. [PubMed:16569063 ]
  4. Shu CK: Pyrazine formation from serine and threonine. J Agric Food Chem. 1999 Oct;47(10):4332-5. [PubMed:10552811 ]
  5. Jung MY, Bock JY, Baik SO, Lee JH, Lee TK: Effects of roasting on pyrazine contents and oxidative stability of red pepper seed oil prior to its extraction. J Agric Food Chem. 1999 Apr;47(4):1700-4. [PubMed:10564041 ]
  6. Jess I, Nather C: Investigations on the synthesis, structures, and properties of new copper(I) 2,3-dimethylpyrazine coordination compounds. Inorg Chem. 2006 Sep 4;45(18):7446-54. [PubMed:16933949 ]
  7. Counet C, Callemien D, Ouwerx C, Collin S: Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching. J Agric Food Chem. 2002 Apr 10;50(8):2385-91. [PubMed:11929301 ]
  8. Montague SA, Mathew D, Carlson JR: Similar odorants elicit different behavioral and physiological responses, some supersustained. J Neurosci. 2011 May 25;31(21):7891-9. doi: 10.1523/JNEUROSCI.6254-10.2011. [PubMed:21613503 ]
  9. Piccone P, Lonzarich V, Navarini L, Fusella G, Pittia P: Effect of sugars on liquid-vapour partition of volatile compounds in ready-to-drink coffee beverages. J Mass Spectrom. 2012 Sep;47(9):1120-31. doi: 10.1002/jms.3073. [PubMed:22972780 ]
  10. Qian M, Reineccius G: Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry. J Dairy Sci. 2002 Jun;85(6):1362-9. [PubMed:12146465 ]
  11. Le Guen S, Prost C, Demaimay M: Critical comparison of three olfactometric methods for the identification of the most potent odorants in cooked mussels (Mytilus edulis). J Agric Food Chem. 2000 Apr;48(4):1307-14. [PubMed:10775390 ]
  12. Morais VM, Miranda MS, Matos MA: Thermochemical study of the ethylpyridine and ethylpyrazine isomers. Org Biomol Chem. 2003 Dec 7;1(23):4329-34. Epub 2003 Oct 27. [PubMed:14685337 ]
  13. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .