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Showing metabocard for Di-2-thienyl disulfide (HMDB0037173)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:24:52 UTC
Update Date2022-03-07 02:55:13 UTC
HMDB IDHMDB0037173
Secondary Accession Numbers
  • HMDB37173
Metabolite Identification
Common NameDi-2-thienyl disulfide
DescriptionDi-2-thienyl disulfide belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Di-2-thienyl disulfide is an earthy, mushroom, and rubbery tasting compound. Based on a literature review very few articles have been published on Di-2-thienyl disulfide.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037173 (Di-2-thienyl disulfide)


  Mrv0541 05061309372D          

 12 13  0  0  0  0            999 V2000
   -0.5592    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    3.6617    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
    0.2658    4.4463    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
   -0.1467    3.1768    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
    0.5207    3.6617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
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3D MOL for HMDB0037173 (Di-2-thienyl disulfide)

HMDB0037173
     RDKit          3D
Di-2-thienyl disulfide
 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.8219   -0.4908    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5006    0.5513    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    1.1201    0.2589 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    0.0274   -1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -0.0842   -2.2726 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997   -1.3785   -1.6011 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486   -0.4552   -0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -0.2109    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    0.5017    1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    0.9237    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    0.3167   -1.2239 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9712   -0.7559   -0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623   -1.0575    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0784    0.9125    1.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -0.6079    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    0.7458    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    1.5164    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308   -1.5746   -1.6605 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  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  4 12  2  0
 12  1  1  0
 11  7  1  0
  1 13  1  0
  2 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 12 18  1  0
M  END
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3D SDF for HMDB0037173 (Di-2-thienyl disulfide)


  Mrv0541 05061309372D          

 12 13  0  0  0  0            999 V2000
   -0.5592    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    3.6617    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
    0.2658    4.4463    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
   -0.1467    3.1768    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
    0.5207    3.6617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037173

> <DATABASE_NAME>
hmdb

> <SMILES>
S(SC1=CC=CS1)C1=CC=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H

> <INCHI_KEY>
YOLFWWMPGNMXFI-UHFFFAOYSA-N

> <FORMULA>
C8H6S4

> <MOLECULAR_WEIGHT>
230.393

> <EXACT_MASS>
229.935232952

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
22.266732848356128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(thiophen-2-yldisulfanyl)thiophene

> <ALOGPS_LOGP>
4.24

> <JCHEM_LOGP>
4.466620799999999

> <ALOGPS_LOGS>
-3.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.544029272016619

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
54.991600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disulfide, 2-thienyl

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0037173 (Di-2-thienyl disulfide)

HMDB0037173
     RDKit          3D
Di-2-thienyl disulfide
 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.8219   -0.4908    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5006    0.5513    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    1.1201    0.2589 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    0.0274   -1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -0.0842   -2.2726 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997   -1.3785   -1.6011 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486   -0.4552   -0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -0.2109    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    0.5017    1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    0.9237    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    0.3167   -1.2239 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9712   -0.7559   -0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623   -1.0575    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0784    0.9125    1.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -0.6079    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    0.7458    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    1.5164    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308   -1.5746   -1.6605 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  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  4 12  2  0
 12  1  1  0
 11  7  1  0
  1 13  1  0
  2 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 12 18  1  0
M  END
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PDB for HMDB0037173 (Di-2-thienyl disulfide)

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      -1.044   8.300   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.520   6.835   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.496   8.300   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0       0.972   6.835   0.000  0.00  0.00           S+0
HETATM   10  S   UNK     0      -0.186   1.175   0.000  0.00  0.00           S+0
HETATM   11  S   UNK     0      -0.274   4.390   0.000  0.00  0.00           S+0
HETATM   12  S   UNK     0       1.060   3.620   0.000  0.00  0.00           S+0
CONECT    1    3    5                                                       
CONECT    2    4    6                                                       
CONECT    3    1    7                                                       
CONECT    4    2    8                                                       
CONECT    5    1    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3    9   11                                                  
CONECT    8    4   10   12                                                  
CONECT    9    5    7                                                       
CONECT   10    6    8                                                       
CONECT   11    7   12                                                       
CONECT   12    8   11                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0037173 (Di-2-thienyl disulfide)

COMPND    HMDB0037173
HETATM    1  C1  UNL     1      -3.822  -0.491   0.071  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.501   0.551   0.902  1.00  0.00           C  
HETATM    3  S1  UNL     1      -2.028   1.120   0.259  1.00  0.00           S  
HETATM    4  C3  UNL     1      -1.860   0.027  -1.040  1.00  0.00           C  
HETATM    5  S2  UNL     1      -0.541  -0.084  -2.273  1.00  0.00           S  
HETATM    6  S3  UNL     1       1.000  -1.378  -1.601  1.00  0.00           S  
HETATM    7  C4  UNL     1       2.249  -0.455  -0.675  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.268  -0.211   0.672  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.298   0.502   1.153  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.241   0.924   0.257  1.00  0.00           C  
HETATM   11  S4  UNL     1       3.666   0.317  -1.224  1.00  0.00           S  
HETATM   12  C8  UNL     1      -2.971  -0.756  -0.929  1.00  0.00           C  
HETATM   13  H1  UNL     1      -4.762  -1.057   0.266  1.00  0.00           H  
HETATM   14  H2  UNL     1      -4.078   0.912   1.773  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.441  -0.608   1.301  1.00  0.00           H  
HETATM   16  H4  UNL     1       3.391   0.746   2.240  1.00  0.00           H  
HETATM   17  H5  UNL     1       5.140   1.516   0.507  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.131  -1.575  -1.660  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4
CONECT    4    5   12   12
CONECT    5    6
CONECT    6    7
CONECT    7    8    8   11
CONECT    8    9   15
CONECT    9   10   10   16
CONECT   10   11   17
CONECT   12   18
END
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SMILES for HMDB0037173 (Di-2-thienyl disulfide)

S(SC1=CC=CS1)C1=CC=CS1
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INCHI for HMDB0037173 (Di-2-thienyl disulfide)

InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Di-2-thienyl disulphideGenerator
2,2'-Bis(thienyl) disulfideHMDB
2,2'-Dithiobis(thiophene)HMDB
2,2'-Dithiobis-thiopheneHMDB
2,2'-Dithiobisthiophene, 9ciHMDB
2,2'-Dithiodi-thiopheneHMDB
2,2'-DithiodithiopheneHMDB
2-(2-Thienyldisulfanyl)thiopheneHMDB
2-Thienyl disulfideHMDB
alpha,Alpha'-dithienyl disulfideHMDB
Bis(2-thienyl) disulphideHMDB
Bis(2-thienyl)disulfideHMDB
Disulfide, 2-thienylHMDB
Dithienyl disulfideHMDB
FEMA 3323HMDB
2-(Thiophen-2-yldisulphanyl)thiopheneGenerator
Chemical FormulaC8H6S4
Average Molecular Weight230.393
Monoisotopic Molecular Weight229.935232952
IUPAC Name2-(thiophen-2-yldisulfanyl)thiophene
Traditional Namedisulfide, 2-thienyl
CAS Registry Number6911-51-9
SMILES
S(SC1=CC=CS1)C1=CC=CS1
InChI Identifier
InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H
InChI KeyYOLFWWMPGNMXFI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassHeteroaromatic compounds
Sub ClassNot Available
Direct ParentHeteroaromatic compounds
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Thiophene
  • Organic disulfide
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point56 - 57 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.064 g/LALOGPS
logP4.24ALOGPS
logP4.47ChemAxon
logS-3.6ALOGPS
pKa (Strongest Basic)-8.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity54.99 m³·mol⁻¹ChemAxon
Polarizability22.27 ųChemAxon
Number of Rings2ChemAxon
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]+146.39631661259
DarkChem[M-H]-140.42531661259
DeepCCS[M+H]+139.68430932474
DeepCCS[M-H]-137.28930932474
DeepCCS[M-2H]-172.74130932474
DeepCCS[M+Na]+147.3430932474
AllCCS[M+H]+142.732859911
AllCCS[M+H-H2O]+138.732859911
AllCCS[M+NH4]+146.432859911
AllCCS[M+Na]+147.532859911
AllCCS[M-H]-134.132859911
AllCCS[M+Na-2H]-134.432859911
AllCCS[M+HCOO]-134.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Di-2-thienyl disulfideS(SC1=CC=CS1)C1=CC=CS12684.9Standard polar33892256
Di-2-thienyl disulfideS(SC1=CC=CS1)C1=CC=CS11725.2Standard non polar33892256
Di-2-thienyl disulfideS(SC1=CC=CS1)C1=CC=CS11867.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Di-2-thienyl disulfide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0059-9260000000-60ec2f75369ecf3dc8052017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Di-2-thienyl disulfide 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 - Di-2-thienyl disulfide 10V, Positive-QTOFsplash10-001i-0090000000-1009984d984d5959c06a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 20V, Positive-QTOFsplash10-001i-0090000000-5061dcfad600a338b6162016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 40V, Positive-QTOFsplash10-001j-4980000000-f2d98e46e0f4cc676dfd2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 10V, Negative-QTOFsplash10-004i-0090000000-c3b84f7c01684a11f0812016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 20V, Negative-QTOFsplash10-004i-0190000000-9a3ab3ca78e67f4b6c742016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 40V, Negative-QTOFsplash10-0a4i-9110000000-e66cd14befd5d026e2fc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 10V, Positive-QTOFsplash10-001i-0090000000-6bad4794a9d77e397a282021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 20V, Positive-QTOFsplash10-001i-0190000000-e97526ea6364b5a99ff62021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 40V, Positive-QTOFsplash10-01bm-9600000000-72c9626caeea070032022021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 10V, Negative-QTOFsplash10-004i-0090000000-141c7e58c54b2a86639d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 20V, Negative-QTOFsplash10-004i-0090000000-141c7e58c54b2a86639d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Di-2-thienyl disulfide 40V, Negative-QTOFsplash10-001i-9400000000-bbf1c68ba214eb0134cf2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB016169
KNApSAcK IDNot Available
Chemspider ID21832
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23347
PDB IDNot Available
ChEBI IDNot Available
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.. .