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Showing metabocard for (R)-Dihydromaleimide (HMDB0030276)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:35:51 UTC
Update Date2023-02-21 17:19:30 UTC
HMDB IDHMDB0030276
Secondary Accession Numbers
  • HMDB30276
Metabolite Identification
Common Name(R)-Dihydromaleimide
Description(R)-Dihydromaleimide belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms (R)-Dihydromaleimide has been detected, but not quantified in, common peas (Pisum sativum) and pulses. This could make (R)-dihydromaleimide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (R)-Dihydromaleimide.
Structure
Data?1676999970
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030276 ((R)-Dihydromaleimide)


  Mrv0541 05061305072D          

  7  7  0  0  0  0            999 V2000
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
Download

3D MOL for HMDB0030276 ((R)-Dihydromaleimide)

HMDB0030276
     RDKit          3D
(R)-Dihydromaleimide
 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5404   -0.5385   -0.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.2940   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163   -1.1292   -0.3193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264   -0.5191    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9697   -0.5096   -0.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190    0.8716    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    0.9926    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.8838    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749   -1.0654    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -0.4992   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    1.6715    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    1.9032    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  2  1  0
  1  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  7 12  1  0
M  END
Download

3D SDF for HMDB0030276 ((R)-Dihydromaleimide)


  Mrv0541 05061305072D          

  7  7  0  0  0  0            999 V2000
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030276

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C=CC(O)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-3,6H,(H,5,7)

> <INCHI_KEY>
CIGXGWDUXOBPIO-UHFFFAOYSA-N

> <FORMULA>
C4H5NO2

> <MOLECULAR_WEIGHT>
99.088

> <EXACT_MASS>
99.032028409

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
8.976588691088505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2H-pyrrole-2,5-diol

> <ALOGPS_LOGP>
-0.63

> <JCHEM_LOGP>
0.029501836666666666

> <ALOGPS_LOGS>
-0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.94742109339468

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.441501785603054

> <JCHEM_PKA_STRONGEST_BASIC>
0.09489765081903079

> <JCHEM_POLAR_SURFACE_AREA>
52.82000000000001

> <JCHEM_REFRACTIVITY>
24.748799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.30e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2H-pyrrole-2,5-diol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030276 ((R)-Dihydromaleimide)

HMDB0030276
     RDKit          3D
(R)-Dihydromaleimide
 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5404   -0.5385   -0.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.2940   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163   -1.1292   -0.3193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264   -0.5191    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9697   -0.5096   -0.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190    0.8716    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    0.9926    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.8838    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749   -1.0654    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -0.4992   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    1.6715    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    1.9032    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  2  1  0
  1  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  7 12  1  0
M  END
Download

PDB for HMDB0030276 ((R)-Dihydromaleimide)

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       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -0.186   1.175   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0      -0.615  -1.536   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       1.060   3.620   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5    6                                                  
CONECT    4    2    5    7                                                  
CONECT    5    3    4                                                       
CONECT    6    3                                                            
CONECT    7    4                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   14    0
END
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3D PDB for HMDB0030276 ((R)-Dihydromaleimide)

COMPND    HMDB0030276
HETATM    1  O1  UNL     1       2.540  -0.539  -0.622  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.194  -0.294  -0.291  1.00  0.00           C  
HETATM    3  N1  UNL     1       0.216  -1.129  -0.319  1.00  0.00           N  
HETATM    4  C2  UNL     1      -1.026  -0.519   0.088  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.970  -0.510  -0.936  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.619   0.872   0.377  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.677   0.993   0.152  1.00  0.00           C  
HETATM    8  H1  UNL     1       3.203  -0.884   0.067  1.00  0.00           H  
HETATM    9  H2  UNL     1      -1.375  -1.065   0.986  1.00  0.00           H  
HETATM   10  H3  UNL     1      -2.859  -0.499  -0.492  1.00  0.00           H  
HETATM   11  H4  UNL     1      -1.265   1.672   0.716  1.00  0.00           H  
HETATM   12  H5  UNL     1       1.283   1.903   0.274  1.00  0.00           H  
CONECT    1    2    8
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    6    9
CONECT    5   10
CONECT    6    7    7   11
CONECT    7   12
END
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SMILES for HMDB0030276 ((R)-Dihydromaleimide)

OC1C=CC(O)=N1
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INCHI for HMDB0030276 ((R)-Dihydromaleimide)

InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-3,6H,(H,5,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC4H5NO2
Average Molecular Weight99.088
Monoisotopic Molecular Weight99.032028409
IUPAC Name2H-pyrrole-2,5-diol
Traditional Name2H-pyrrole-2,5-diol
CAS Registry Number87710-47-2
SMILES
OC1C=CC(O)=N1
InChI Identifier
InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-3,6H,(H,5,7)
InChI KeyCIGXGWDUXOBPIO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolines
Sub ClassNot Available
Direct ParentPyrrolines
Alternative Parents
Substituents
  • Pyrroline
  • Carboxamide group
  • Lactam
  • Secondary carboxylic acid amide
  • Alkanolamine
  • Carboxylic acid derivative
  • Azacycle
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point103 - 105 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility53 g/LALOGPS
logP-0.63ALOGPS
logP0.03ChemAxon
logS-0.27ALOGPS
pKa (Strongest Acidic)7.44ChemAxon
pKa (Strongest Basic)0.095ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.82 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity24.75 m³·mol⁻¹ChemAxon
Polarizability8.98 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+119.48931661259
DarkChem[M-H]-112.72631661259
DeepCCS[M+H]+123.42630932474
DeepCCS[M-H]-120.74130932474
DeepCCS[M-2H]-157.05630932474
DeepCCS[M+Na]+131.58730932474
AllCCS[M+H]+121.532859911
AllCCS[M+H-H2O]+116.532859911
AllCCS[M+NH4]+126.332859911
AllCCS[M+Na]+127.632859911
AllCCS[M-H]-117.032859911
AllCCS[M+Na-2H]-120.032859911
AllCCS[M+HCOO]-123.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(R)-DihydromaleimideOC1C=CC(O)=N12300.0Standard polar33892256
(R)-DihydromaleimideOC1C=CC(O)=N1997.1Standard non polar33892256
(R)-DihydromaleimideOC1C=CC(O)=N11193.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(R)-Dihydromaleimide,1TMS,isomer #1C[Si](C)(C)OC1C=CC(O)=N11273.5Semi standard non polar33892256
(R)-Dihydromaleimide,1TMS,isomer #2C[Si](C)(C)OC1=NC(O)C=C11224.1Semi standard non polar33892256
(R)-Dihydromaleimide,2TMS,isomer #1C[Si](C)(C)OC1=NC(O[Si](C)(C)C)C=C11341.0Semi standard non polar33892256
(R)-Dihydromaleimide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C=CC(O)=N11491.1Semi standard non polar33892256
(R)-Dihydromaleimide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=NC(O)C=C11441.1Semi standard non polar33892256
(R)-Dihydromaleimide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC(O[Si](C)(C)C(C)(C)C)C=C11792.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (R)-Dihydromaleimide GC-MS (Non-derivatized) - 70eV, Positivesplash10-004j-9000000000-6855fd028f87716f4f0c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (R)-Dihydromaleimide GC-MS (2 TMS) - 70eV, Positivesplash10-00b9-9630000000-fe88c31e6d2154e460aa2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (R)-Dihydromaleimide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (R)-Dihydromaleimide 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 - (R)-Dihydromaleimide 10V, Positive-QTOFsplash10-0udi-1900000000-8800cb0a9197a73e74d62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 20V, Positive-QTOFsplash10-0udi-4900000000-37f5378414217a16ad5c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 40V, Positive-QTOFsplash10-001i-9000000000-5b53e0e8ec18a98cf6702016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 10V, Negative-QTOFsplash10-0002-9000000000-8c8281a61b3aad7fea5d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 20V, Negative-QTOFsplash10-0002-9000000000-ba38a27568a0ad049d0d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 40V, Negative-QTOFsplash10-0006-9000000000-454cd5e52a9101b11d1c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 10V, Positive-QTOFsplash10-001i-9000000000-324e1a71698245b381472021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 20V, Positive-QTOFsplash10-001i-9000000000-9c360d6b629c8d8509362021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 40V, Positive-QTOFsplash10-0006-9000000000-a9e5509e1690d8878cf22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 10V, Negative-QTOFsplash10-001i-9000000000-35458cf6923e8d6476662021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 20V, Negative-QTOFsplash10-001i-9000000000-984c0e23121e8198b9ee2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (R)-Dihydromaleimide 40V, Negative-QTOFsplash10-0006-9000000000-90726b17dc36e29c52992021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H 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 IDFDB002109
KNApSAcK IDNot Available
Chemspider ID313876
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound353549
PDB IDNot Available
ChEBI ID173337
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .