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Showing metabocard for N-Ethylacetamide (HMDB0031215)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:39 UTC
Update Date2023-02-21 17:20:04 UTC
HMDB IDHMDB0031215
Secondary Accession Numbers
  • HMDB31215
Metabolite Identification
Common NameN-Ethylacetamide
DescriptionN-Ethylacetamide, also known as acetamidoethane or acetoethylamide, belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group). N-Ethylacetamide is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on N-Ethylacetamide.
Structure
Data?1677000004
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031215 (N-Ethylacetamide)


  Mrv0541 02241220322D          

  6  5  0  0  0  0            999 V2000
   -1.1089   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267    0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694    0.6159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694    0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  4  6  2  0  0  0  0
M  END
Download

3D MOL for HMDB0031215 (N-Ethylacetamide)

HMDB0031215
     RDKit          3D
N-Ethylacetamide
 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.2266   -0.2225    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -0.0808   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -0.1862    0.1361 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893   -0.0840   -0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -0.1972   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266    0.1018   -2.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -0.7639    1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    0.7626    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068   -0.8554    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320    0.8734   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478   -0.9202   -1.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802   -0.3389    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803    0.7460    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -0.3770   -1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548   -1.0371    0.5023 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
  4  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  5 13  1  0
  5 14  1  0
  5 15  1  0
M  END
Download

3D SDF for HMDB0031215 (N-Ethylacetamide)


  Mrv0541 02241220322D          

  6  5  0  0  0  0            999 V2000
   -1.1089   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267    0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694    0.6159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694    0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089    0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  4  6  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031215

> <DATABASE_NAME>
hmdb

> <SMILES>
CCNC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)

> <INCHI_KEY>
PMDCZENCAXMSOU-UHFFFAOYSA-N

> <FORMULA>
C4H9NO

> <MOLECULAR_WEIGHT>
87.1204

> <EXACT_MASS>
87.068413915

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
9.738659418426266

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-ethylacetamide

> <ALOGPS_LOGP>
-0.39

> <JCHEM_LOGP>
-0.44980430766666646

> <ALOGPS_LOGS>
0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.45794535941843

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9159413010486391

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
24.111200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.22e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetamide, N-ethyl-

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0031215 (N-Ethylacetamide)

HMDB0031215
     RDKit          3D
N-Ethylacetamide
 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.2266   -0.2225    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -0.0808   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -0.1862    0.1361 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893   -0.0840   -0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -0.1972   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266    0.1018   -2.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -0.7639    1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    0.7626    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068   -0.8554    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320    0.8734   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478   -0.9202   -1.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802   -0.3389    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803    0.7460    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -0.3770   -1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548   -1.0371    0.5023 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
  4  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  5 13  1  0
  5 14  1  0
  5 15  1  0
M  END
Download

PDB for HMDB0031215 (N-Ethylacetamide)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.070  -1.150   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.917   0.383   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.690   1.150   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.690   0.383   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.690  -1.150   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.070   1.150   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
MASTER        0    0    0    0    0    0    0    0    6    0   10    0
END
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3D PDB for HMDB0031215 (N-Ethylacetamide)

COMPND    HMDB0031215
HETATM    1  C1  UNL     1      -2.227  -0.222   0.816  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.257  -0.081  -0.334  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.113  -0.186   0.136  1.00  0.00           N  
HETATM    4  C3  UNL     1       1.189  -0.084  -0.763  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.578  -0.197  -0.244  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.027   0.102  -2.007  1.00  0.00           O  
HETATM    7  H1  UNL     1      -1.745  -0.764   1.681  1.00  0.00           H  
HETATM    8  H2  UNL     1      -2.629   0.763   1.144  1.00  0.00           H  
HETATM    9  H3  UNL     1      -3.107  -0.855   0.536  1.00  0.00           H  
HETATM   10  H4  UNL     1      -1.432   0.873  -0.870  1.00  0.00           H  
HETATM   11  H5  UNL     1      -1.448  -0.920  -1.031  1.00  0.00           H  
HETATM   12  H6  UNL     1       0.280  -0.339   1.151  1.00  0.00           H  
HETATM   13  H7  UNL     1       2.780   0.746   0.320  1.00  0.00           H  
HETATM   14  H8  UNL     1       3.321  -0.377  -1.039  1.00  0.00           H  
HETATM   15  H9  UNL     1       2.555  -1.037   0.502  1.00  0.00           H  
CONECT    1    2    7    8    9
CONECT    2    3   10   11
CONECT    3    4   12
CONECT    4    5    6    6
CONECT    5   13   14   15
END
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SMILES for HMDB0031215 (N-Ethylacetamide)

CCNC(C)=O
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INCHI for HMDB0031215 (N-Ethylacetamide)

InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
AcetamidoethaneChEBI
AcetoethylamideChEBI
EthylacetamideChEBI
N-AcetylethylamineHMDB
N-AethylacetamidHMDB
N-Ethyl-acetamideHMDB
N-EthylethanamideHMDB
Chemical FormulaC4H9NO
Average Molecular Weight87.1204
Monoisotopic Molecular Weight87.068413915
IUPAC NameN-ethylacetamide
Traditional Nameacetamide, N-ethyl-
CAS Registry Number625-50-3
SMILES
CCNC(C)=O
InChI Identifier
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChI KeyPMDCZENCAXMSOU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboximidic acids and derivatives
Sub ClassCarboximidic acids
Direct ParentCarboximidic acids
Alternative Parents
Substituents
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point205.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility189200 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-0.520 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility322 g/LALOGPS
logP-0.39ALOGPS
logP-0.45ChemAxon
logS0.57ALOGPS
pKa (Strongest Acidic)16.46ChemAxon
pKa (Strongest Basic)-0.92ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.1 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity24.11 m³·mol⁻¹ChemAxon
Polarizability9.74 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]+117.4131661259
DarkChem[M-H]-111.28331661259
DeepCCS[M+H]+126.44230932474
DeepCCS[M-H]-124.54630932474
DeepCCS[M-2H]-160.03530932474
DeepCCS[M+Na]+134.44230932474
AllCCS[M+H]+123.432859911
AllCCS[M+H-H2O]+119.032859911
AllCCS[M+NH4]+127.532859911
AllCCS[M+Na]+128.732859911
AllCCS[M-H]-127.932859911
AllCCS[M+Na-2H]-132.732859911
AllCCS[M+HCOO]-138.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-EthylacetamideCCNC(C)=O1574.5Standard polar33892256
N-EthylacetamideCCNC(C)=O854.9Standard non polar33892256
N-EthylacetamideCCNC(C)=O886.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Ethylacetamide,1TMS,isomer #1CCN(C(C)=O)[Si](C)(C)C972.6Semi standard non polar33892256
N-Ethylacetamide,1TMS,isomer #1CCN(C(C)=O)[Si](C)(C)C1019.2Standard non polar33892256
N-Ethylacetamide,1TBDMS,isomer #1CCN(C(C)=O)[Si](C)(C)C(C)(C)C1190.6Semi standard non polar33892256
N-Ethylacetamide,1TBDMS,isomer #1CCN(C(C)=O)[Si](C)(C)C(C)(C)C1200.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Ethylacetamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-002f-9000000000-f4f5903f6663e900dedb2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Ethylacetamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Ethylacetamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 10V, Positive-QTOFsplash10-000f-9000000000-a5aa82fe4750416e239b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 20V, Positive-QTOFsplash10-0006-9000000000-8e5371e2b236dc764d922016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 40V, Positive-QTOFsplash10-0006-9000000000-ce651bde39711e8509fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 10V, Negative-QTOFsplash10-000i-9000000000-90c915bbab1f97fff2272016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 20V, Negative-QTOFsplash10-0006-9000000000-63edc18f27ede18609252016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 40V, Negative-QTOFsplash10-0006-9000000000-d3ce6f63b8f84bcfba172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 10V, Negative-QTOFsplash10-000i-9000000000-dd3a895d3e27002080212021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 20V, Negative-QTOFsplash10-0a4i-9000000000-7ba13ede78dd5ddb8ed12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 40V, Negative-QTOFsplash10-0006-9000000000-cc2ccfce0b2d9aa95e172021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 10V, Positive-QTOFsplash10-0005-9000000000-c36cf623bf90d143d8ed2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 20V, Positive-QTOFsplash10-0006-9000000000-cf1c190c53b6adb3dcae2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ethylacetamide 40V, Positive-QTOFsplash10-0006-9000000000-efef1523bff59249df7b2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX 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 IDFDB003238
KNApSAcK IDNot Available
Chemspider ID11752
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12253
PDB IDNot Available
ChEBI ID87370
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1266601
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .