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Showing metabocard for N-butylformamide (HMDB0062600)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:38:07 UTC
Update Date2022-03-07 03:17:57 UTC
HMDB IDHMDB0062600
Secondary Accession Numbers
  • HMDB62600
Metabolite Identification
Common NameN-butylformamide
DescriptionN-butylformamide belongs to the class of organic compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). N-butylformamide is a very strong basic compound (based on its pKa).
Structure
Data?1563866335
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0062600 (N-butylformamide)


  Mrv0541 05041413362D          

  7  6  0  0  0  0            999 V2000
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  5  7  1  4  0  0  0
M  END
Download

3D MOL for HMDB0062600 (N-butylformamide)

HMDB0062600
     RDKit          3D
N-butylformamide
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.6362   -0.1194    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348    0.4207   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.2079   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    0.4013   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -0.2408   -0.8822 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -0.0493    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732   -0.6935    0.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8457    0.6199    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -1.0862    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6247   -0.2650    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5281    1.5255   -0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    0.2543   -1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -1.2929   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -0.0602    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    1.4819   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975    0.1171   -2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.5985    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4811   -0.5477    1.1307 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  2  3
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
M  END
Download

3D SDF for HMDB0062600 (N-butylformamide)


  Mrv0541 05041413362D          

  7  6  0  0  0  0            999 V2000
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  5  7  1  4  0  0  0
M  END
> <DATABASE_ID>
HMDB0062600

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCN=CO

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)

> <INCHI_KEY>
QQGNLKJAIVSNCO-UHFFFAOYSA-N

> <FORMULA>
C5H11NO

> <MOLECULAR_WEIGHT>
101.1469

> <EXACT_MASS>
101.084063979

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
11.86268301670684

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-butylmethanimidic acid

> <ALOGPS_LOGP>
1.38

> <JCHEM_LOGP>
1.2881921713333337

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.525842489754226

> <JCHEM_PKA_STRONGEST_BASIC>
6.19886133439395

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
29.2674

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-butylmethanimidic acid

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0062600 (N-butylformamide)

HMDB0062600
     RDKit          3D
N-butylformamide
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.6362   -0.1194    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348    0.4207   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.2079   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    0.4013   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -0.2408   -0.8822 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -0.0493    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732   -0.6935    0.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8457    0.6199    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -1.0862    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6247   -0.2650    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5281    1.5255   -0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    0.2543   -1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -1.2929   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -0.0602    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    1.4819   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975    0.1171   -2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.5985    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4811   -0.5477    1.1307 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  2  3
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
M  END
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PDB for HMDB0062600 (N-butylformamide)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    6                                                       
CONECT    5    6    7                                                       
CONECT    6    4    5                                                       
CONECT    7    5                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0062600 (N-butylformamide)

COMPND    HMDB0062600
HETATM    1  C1  UNL     1      -2.636  -0.119   0.703  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.635   0.421  -0.262  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.265  -0.208  -0.081  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.690   0.401  -1.105  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.991  -0.241  -0.882  1.00  0.00           N  
HETATM    6  C5  UNL     1       2.647  -0.049   0.190  1.00  0.00           C  
HETATM    7  O1  UNL     1       3.873  -0.694   0.327  1.00  0.00           O  
HETATM    8  H1  UNL     1      -2.846   0.620   1.529  1.00  0.00           H  
HETATM    9  H2  UNL     1      -2.352  -1.086   1.162  1.00  0.00           H  
HETATM   10  H3  UNL     1      -3.625  -0.265   0.202  1.00  0.00           H  
HETATM   11  H4  UNL     1      -1.528   1.525  -0.130  1.00  0.00           H  
HETATM   12  H5  UNL     1      -1.982   0.254  -1.299  1.00  0.00           H  
HETATM   13  H6  UNL     1      -0.310  -1.293  -0.306  1.00  0.00           H  
HETATM   14  H7  UNL     1       0.130  -0.060   0.932  1.00  0.00           H  
HETATM   15  H8  UNL     1       0.728   1.482  -0.930  1.00  0.00           H  
HETATM   16  H9  UNL     1       0.398   0.117  -2.135  1.00  0.00           H  
HETATM   17  H10 UNL     1       2.242   0.599   0.956  1.00  0.00           H  
HETATM   18  H11 UNL     1       4.481  -0.548   1.131  1.00  0.00           H  
CONECT    1    2    8    9   10
CONECT    2    3   11   12
CONECT    3    4   13   14
CONECT    4    5   15   16
CONECT    5    6    6
CONECT    6    7   17
CONECT    7   18
END
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SMILES for HMDB0062600 (N-butylformamide)

CCCCN=CO
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INCHI for HMDB0062600 (N-butylformamide)

InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
N-N-ButylformamideChEBI
Chemical FormulaC5H11NO
Average Molecular Weight101.1469
Monoisotopic Molecular Weight101.084063979
IUPAC NameN-butylmethanimidic acid
Traditional NameN-butylmethanimidic acid
CAS Registry Number871-71-6
SMILES
CCCCN=CO
InChI Identifier
InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChI KeyQQGNLKJAIVSNCO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentSecondary carboxylic acid amides
Alternative Parents
Substituents
  • Secondary carboxylic acid amide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility7.85 g/lALOGPS
LogP1.38ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.38ALOGPS
logP1.29ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)8.53ChemAxon
pKa (Strongest Basic)6.2ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area32.59 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity29.27 m³·mol⁻¹ChemAxon
Polarizability11.86 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]+120.16131661259
DarkChem[M-H]-116.20731661259
DeepCCS[M+H]+126.330932474
DeepCCS[M-H]-124.30630932474
DeepCCS[M-2H]-159.96130932474
DeepCCS[M+Na]+134.42830932474
AllCCS[M+H]+125.632859911
AllCCS[M+H-H2O]+121.332859911
AllCCS[M+NH4]+129.632859911
AllCCS[M+Na]+130.832859911
AllCCS[M-H]-128.732859911
AllCCS[M+Na-2H]-132.632859911
AllCCS[M+HCOO]-137.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-butylformamideCCCCN=CO1571.9Standard polar33892256
N-butylformamideCCCCN=CO890.9Standard non polar33892256
N-butylformamideCCCCN=CO944.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-butylformamide,1TMS,isomer #1CCCCN=CO[Si](C)(C)C1045.7Semi standard non polar33892256
N-butylformamide,1TBDMS,isomer #1CCCCN=CO[Si](C)(C)C(C)(C)C1257.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-butylformamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-056u-9000000000-d92eabd8499eb85486322017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-butylformamide GC-MS (1 TMS) - 70eV, Positivesplash10-05i3-9300000000-e59d658c870ee4350aa32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-butylformamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-butylformamide 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-butylformamide 10V, Positive-QTOFsplash10-00di-9100000000-a721196bab191f3cfe352017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 20V, Positive-QTOFsplash10-05fr-9000000000-a73ca13f33e2663ab3932017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 40V, Positive-QTOFsplash10-0a4l-9000000000-ca940bdbb2ff07a3228d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 10V, Negative-QTOFsplash10-0fk9-9500000000-b932d8f897fd411656aa2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 20V, Negative-QTOFsplash10-00di-9000000000-5f54754a6776dddfe4c92017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 40V, Negative-QTOFsplash10-002f-9000000000-25982f9084236cd71a652017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 10V, Negative-QTOFsplash10-0udl-5900000000-326ed2c5fd52e18319cd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 20V, Negative-QTOFsplash10-0006-9000000000-9143984b7e9e094963112021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 40V, Negative-QTOFsplash10-0006-9000000000-f6142b2df07ec1ddb75a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 10V, Positive-QTOFsplash10-05gi-9000000000-b3d916bbfc41786c2b1a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 20V, Positive-QTOFsplash10-0a4l-9000000000-dbdb55a2567f899f81452021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-butylformamide 40V, Positive-QTOFsplash10-0006-9000000000-777b717c6923efdbebbd2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13376
PDB IDNot Available
ChEBI ID84287
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 ReferencesNot Available