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Showing metabocard for Oxolan-3-one (HMDB0002523)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:56 UTC
Update Date2023-02-21 17:16:25 UTC
HMDB IDHMDB0002523
Secondary Accession Numbers
  • HMDB02523
Metabolite Identification
Common NameOxolan-3-one
DescriptionOxolan-3-one belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Oxolan-3-one has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make oxolan-3-one a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Oxolan-3-one.
Structure
Data?1676999785
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002523 (Oxolan-3-one)

Glycochenodeoxycholic acid 3-glucuronide.mol
  Mrv0541 02231219332D          

  6  6  0  0  0  0            999 V2000
   -1.0473    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473    0.0000    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
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
M  END
Download

3D MOL for HMDB0002523 (Oxolan-3-one)

HMDB0002523
     RDKit          3D
Oxolan-3-one
 12 12  0  0  0  0  0  0  0  0999 V2000
    0.8854   -1.9829    0.7369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676   -0.9761    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447   -0.5931    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618    0.9304    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2962    1.0068   -0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    0.1565   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -0.8891    0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706   -0.9360   -0.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    1.4448   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657    1.2278    0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978   -0.1651   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152    0.7762    0.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  3  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  6 11  1  0
  6 12  1  0
M  END
Download

3D SDF for HMDB0002523 (Oxolan-3-one)

Glycochenodeoxycholic acid 3-glucuronide.mol
  Mrv0541 02231219332D          

  6  6  0  0  0  0            999 V2000
   -1.0473    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473    0.0000    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
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002523

> <DATABASE_NAME>
hmdb

> <SMILES>
O=C1CCOC1

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2

> <INCHI_KEY>
JLPJFSCQKHRSQR-UHFFFAOYSA-N

> <FORMULA>
C4H6O2

> <MOLECULAR_WEIGHT>
86.0892

> <EXACT_MASS>
86.036779436

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
8.23539921677959

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxolan-3-one

> <ALOGPS_LOGP>
-0.77

> <JCHEM_LOGP>
-0.1294999750000002

> <ALOGPS_LOGS>
0.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.264097614349012

> <JCHEM_PKA_STRONGEST_BASIC>
-4.177892652600325

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
20.7885

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.19e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dihydrofuran-3-one

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0002523 (Oxolan-3-one)

HMDB0002523
     RDKit          3D
Oxolan-3-one
 12 12  0  0  0  0  0  0  0  0999 V2000
    0.8854   -1.9829    0.7369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676   -0.9761    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447   -0.5931    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618    0.9304    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2962    1.0068   -0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508    0.1565   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -0.8891    0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706   -0.9360   -0.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    1.4448   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657    1.2278    0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978   -0.1651   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152    0.7762    0.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  3  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  6 11  1  0
  6 12  1  0
M  END
Download

PDB for HMDB0002523 (Oxolan-3-one)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Glycochenodeoxycholic acid 3-glucuronide.mol      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      -1.955   0.770   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.490   1.246   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.415   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.490  -1.246   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.955  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.955   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4    1                                                       
CONECT    6    3                                                            
MASTER        0    0    0    0    0    0    0    0    6    0   12    0
END
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3D PDB for HMDB0002523 (Oxolan-3-one)

COMPND    HMDB0002523
HETATM    1  O1  UNL     1       0.885  -1.983   0.737  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.468  -0.976   0.259  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.945  -0.593   0.072  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.762   0.930   0.001  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.296   1.007  -0.896  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.251   0.156  -0.275  1.00  0.00           C  
HETATM    7  H1  UNL     1      -1.607  -0.889   0.881  1.00  0.00           H  
HETATM    8  H2  UNL     1      -1.271  -0.936  -0.933  1.00  0.00           H  
HETATM    9  H3  UNL     1      -1.664   1.445  -0.314  1.00  0.00           H  
HETATM   10  H4  UNL     1      -0.366   1.228   0.989  1.00  0.00           H  
HETATM   11  H5  UNL     1       1.998  -0.165  -1.043  1.00  0.00           H  
HETATM   12  H6  UNL     1       1.715   0.776   0.523  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    6
CONECT    3    4    7    8
CONECT    4    5    9   10
CONECT    5    6
CONECT    6   11   12
END
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SMILES for HMDB0002523 (Oxolan-3-one)

O=C1CCOC1
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INCHI for HMDB0002523 (Oxolan-3-one)

InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-OxotetrahydrofuranHMDB
dihydro-3(2H)-FuranoneHMDB
Dihydrofuran-3-oneHMDB
Chemical FormulaC4H6O2
Average Molecular Weight86.0892
Monoisotopic Molecular Weight86.036779436
IUPAC Nameoxolan-3-one
Traditional Namedihydrofuran-3-one
CAS Registry Number22929-52-8
SMILES
O=C1CCOC1
InChI Identifier
InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
InChI KeyJLPJFSCQKHRSQR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDihydrofurans
Sub ClassFuranones
Direct ParentFuranones
Alternative Parents
Substituents
  • 3-furanone
  • Tetrahydrofuran
  • Cyclic ketone
  • Ketone
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility519 g/LALOGPS
logP-0.77ALOGPS
logP-0.13ChemAxon
logS0.78ALOGPS
pKa (Strongest Acidic)17.26ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.79 m³·mol⁻¹ChemAxon
Polarizability8.24 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]+114.88231661259
DarkChem[M-H]-109.2431661259
DeepCCS[M+H]+123.5130932474
DeepCCS[M-H]-121.60930932474
DeepCCS[M-2H]-156.98630932474
DeepCCS[M+Na]+131.4730932474
AllCCS[M+H]+116.932859911
AllCCS[M+H-H2O]+111.732859911
AllCCS[M+NH4]+121.832859911
AllCCS[M+Na]+123.232859911
AllCCS[M-H]-117.832859911
AllCCS[M+Na-2H]-121.532859911
AllCCS[M+HCOO]-125.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Oxolan-3-oneO=C1CCOC11261.4Standard polar33892256
Oxolan-3-oneO=C1CCOC1752.1Standard non polar33892256
Oxolan-3-oneO=C1CCOC1767.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oxolan-3-one,1TMS,isomer #1C[Si](C)(C)OC1=COCC11041.1Semi standard non polar33892256
Oxolan-3-one,1TMS,isomer #1C[Si](C)(C)OC1=COCC11113.0Standard non polar33892256
Oxolan-3-one,1TMS,isomer #1C[Si](C)(C)OC1=COCC11301.4Standard polar33892256
Oxolan-3-one,1TMS,isomer #2C[Si](C)(C)OC1=CCOC11028.6Semi standard non polar33892256
Oxolan-3-one,1TMS,isomer #2C[Si](C)(C)OC1=CCOC11056.7Standard non polar33892256
Oxolan-3-one,1TMS,isomer #2C[Si](C)(C)OC1=CCOC11430.9Standard polar33892256
Oxolan-3-one,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=COCC11253.6Semi standard non polar33892256
Oxolan-3-one,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=COCC11286.6Standard non polar33892256
Oxolan-3-one,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=COCC11501.8Standard polar33892256
Oxolan-3-one,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CCOC11239.9Semi standard non polar33892256
Oxolan-3-one,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CCOC11238.1Standard non polar33892256
Oxolan-3-one,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CCOC11594.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Oxolan-3-one GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9000000000-6bd9ce1a931567e1a3c82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxolan-3-one GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxolan-3-one 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 - Oxolan-3-one 10V, Positive-QTOFsplash10-00kr-9000000000-5da5eed3d0cef39e111b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 20V, Positive-QTOFsplash10-014r-9000000000-9421cd516498f73625c02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 40V, Positive-QTOFsplash10-05mx-9000000000-b5df4764b83c47f8ffa72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 10V, Negative-QTOFsplash10-000i-9000000000-e518d36e5c3a96d352d62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 20V, Negative-QTOFsplash10-000i-9000000000-e248a8d271e76f8e36202017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 40V, Negative-QTOFsplash10-0a4i-9000000000-ad8a22266f418dcac3df2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 10V, Positive-QTOFsplash10-014u-9000000000-b0876187a6dbde032ab52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 20V, Positive-QTOFsplash10-00kf-9000000000-2a42cec2791b867b19a52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 40V, Positive-QTOFsplash10-0006-9000000000-e6a74265a10064561eab2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 10V, Negative-QTOFsplash10-000l-9000000000-bed45fc6374cfd503a782021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 20V, Negative-QTOFsplash10-00kf-9000000000-08e7e44813a583e61cdb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxolan-3-one 40V, Negative-QTOFsplash10-0006-9000000000-6dcb2d8d2a0bb34392132021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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+Na]+)2023-02-03FELIX 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 IDFDB023023
KNApSAcK IDNot Available
Chemspider ID461367
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6710
PubChem Compound529392
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceWeiland, J. H. Sperna. The chemistry of 3-oxotetrahydrofurans. II. Cyclization of 2-alkoxyethyl diazomethyl ketones. Recueil des Travaux Chimiques des Pays-Bas (1964), 84(1), 81-93.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Boulat O, Gradwohl M, Matos V, Guignard JP, Bachmann C: Organic acids in the second morning urine in a healthy Swiss paediatric population. Clin Chem Lab Med. 2003 Dec;41(12):1642-58. [PubMed:14708889 ]
  2. Chalmers RA: Organic acids in urine of patients with congenital lactic acidoses: an aid to differential diagnosis. J Inherit Metab Dis. 1984;7 Suppl 1:79-89. [PubMed:6434850 ]