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Showing metabocard for (Z)-S-1-Propenyl methanesulfinothioate (HMDB0032747)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:33 UTC
Update Date2023-02-21 17:22:37 UTC
HMDB IDHMDB0032747
Secondary Accession Numbers
  • HMDB32747
Metabolite Identification
Common Name(Z)-S-1-Propenyl methanesulfinothioate
Description(Z)-S-1-Propenyl methanesulfinothioate, also known as (1Z)-1-(methanesulphinylsulphanyl)prop-1-ene, belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl) (Z)-S-1-Propenyl methanesulfinothioate has been detected, but not quantified in, several different foods, such as welsh onions (Allium fistulosum), green onion, garden onions (Allium cepa), onion-family vegetables, and red onion. This could make (Z)-S-1-propenyl methanesulfinothioate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (Z)-S-1-Propenyl methanesulfinothioate.
Structure
Data?1677000157
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)


  Mrv0541 02241209452D          

  7  6  0  0  0  0            999 V2000
   -1.4026   -1.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405   -0.2126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    0.1877    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
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3D MOL for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

HMDB0032747
     RDKit          3D
(Z)-S-1-Propenyl methanesulfinothioate
 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4870    0.4786   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -0.9144   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -1.1590    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729    0.1541    1.2456 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094    0.5985   -0.2796 S   0  0  0  0  0  4  0  0  0  0  0  0
   -3.0880    0.1828    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    1.9987   -0.6901 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    0.4245   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    0.9749    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157    1.1027   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -1.7718   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -2.1784    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.7084   -0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014    0.3314    1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.9311    0.2395 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
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  6 13  1  0
  6 14  1  0
  6 15  1  0
M  END
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3D SDF for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)


  Mrv0541 02241209452D          

  7  6  0  0  0  0            999 V2000
   -1.4026   -1.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405   -0.2126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    0.1877    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    1.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032747

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C=C/SS(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3-

> <INCHI_KEY>
FCQZRAVPZFRUNA-ARJAWSKDSA-N

> <FORMULA>
C4H8OS2

> <MOLECULAR_WEIGHT>
136.236

> <EXACT_MASS>
136.001656258

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
13.348075114186665

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene

> <ALOGPS_LOGP>
0.74

> <JCHEM_LOGP>
1.3072000000000004

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.686599608540178

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
36.093700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

HMDB0032747
     RDKit          3D
(Z)-S-1-Propenyl methanesulfinothioate
 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4870    0.4786   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -0.9144   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -1.1590    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729    0.1541    1.2456 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094    0.5985   -0.2796 S   0  0  0  0  0  4  0  0  0  0  0  0
   -3.0880    0.1828    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    1.9987   -0.6901 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    0.4245   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    0.9749    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157    1.1027   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -1.7718   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -2.1784    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.7084   -0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014    0.3314    1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.9311    0.2395 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
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  6 13  1  0
  6 14  1  0
  6 15  1  0
M  END
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PDB for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

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      -2.618  -1.891   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.618  -0.397   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.270   0.350   0.000  0.00  0.00           C+0
HETATM    4  S   UNK     0      -0.076  -0.397   0.000  0.00  0.00           S+0
HETATM    5  S   UNK     0       1.270   0.350   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0       2.618  -0.397   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.270   1.891   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    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 HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

COMPND    HMDB0032747
HETATM    1  C1  UNL     1       2.487   0.479  -0.183  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.996  -0.914  -0.103  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.853  -1.159   0.521  1.00  0.00           C  
HETATM    4  S1  UNL     1      -0.073   0.154   1.246  1.00  0.00           S  
HETATM    5  S2  UNL     1      -1.509   0.599  -0.280  1.00  0.00           S  
HETATM    6  C4  UNL     1      -3.088   0.183   0.359  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.269   1.999  -0.690  1.00  0.00           O  
HETATM    8  H1  UNL     1       3.539   0.424  -0.566  1.00  0.00           H  
HETATM    9  H2  UNL     1       2.473   0.975   0.816  1.00  0.00           H  
HETATM   10  H3  UNL     1       1.916   1.103  -0.890  1.00  0.00           H  
HETATM   11  H4  UNL     1       2.516  -1.772  -0.528  1.00  0.00           H  
HETATM   12  H5  UNL     1       0.445  -2.178   0.607  1.00  0.00           H  
HETATM   13  H6  UNL     1      -3.946   0.708  -0.123  1.00  0.00           H  
HETATM   14  H7  UNL     1      -3.101   0.331   1.478  1.00  0.00           H  
HETATM   15  H8  UNL     1      -3.238  -0.931   0.240  1.00  0.00           H  
CONECT    1    2    8    9   10
CONECT    2    3    3   11
CONECT    3    4   12
CONECT    4    5
CONECT    5    6    7    7
CONECT    6   13   14   15
END
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SMILES for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

C\C=C/SS(C)=O
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INCHI for HMDB0032747 ((Z)-S-1-Propenyl methanesulfinothioate)

InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3-
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(Z)-S-1-Propenyl methanesulfinothioic acidGenerator
(Z)-S-1-Propenyl methanesulphinothioateGenerator
(Z)-S-1-Propenyl methanesulphinothioic acidGenerator
S-1-Propenyl methanesulfinothioateHMDB
(1Z)-1-(Methanesulphinylsulphanyl)prop-1-eneHMDB
Chemical FormulaC4H8OS2
Average Molecular Weight136.236
Monoisotopic Molecular Weight136.001656258
IUPAC Name(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene
Traditional Name(1Z)-1-(methanesulfinylsulfanyl)prop-1-ene
CAS Registry Number119052-99-2
SMILES
C\C=C/SS(C)=O
InChI Identifier
InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3-
InChI KeyFCQZRAVPZFRUNA-ARJAWSKDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassThiosulfinic acid esters
Sub ClassNot Available
Direct ParentThiosulfinic acid esters
Alternative Parents
Substituents
  • Thiosulfinic acid ester
  • Sulfenyl compound
  • Sulfinyl compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility18.4 g/LALOGPS
logP0.74ALOGPS
logP1.31ChemAxon
logS-0.87ALOGPS
pKa (Strongest Basic)-5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity36.09 m³·mol⁻¹ChemAxon
Polarizability13.35 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]+129.59731661259
DarkChem[M-H]-122.8531661259
DeepCCS[M+H]+132.75630932474
DeepCCS[M-H]-130.53630932474
DeepCCS[M-2H]-166.68430932474
DeepCCS[M+Na]+141.39730932474
AllCCS[M+H]+127.632859911
AllCCS[M+H-H2O]+123.632859911
AllCCS[M+NH4]+131.332859911
AllCCS[M+Na]+132.432859911
AllCCS[M-H]-138.732859911
AllCCS[M+Na-2H]-142.632859911
AllCCS[M+HCOO]-146.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(Z)-S-1-Propenyl methanesulfinothioateC\C=C/SS(C)=O1506.2Standard polar33892256
(Z)-S-1-Propenyl methanesulfinothioateC\C=C/SS(C)=O1075.5Standard non polar33892256
(Z)-S-1-Propenyl methanesulfinothioateC\C=C/SS(C)=O1044.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0096-9000000000-b0dc0ae70ff9e823d2ab2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 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 - (Z)-S-1-Propenyl methanesulfinothioate 10V, Positive-QTOFsplash10-000i-6900000000-dfcef9a6b004815c58642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 20V, Positive-QTOFsplash10-00fu-9100000000-9c857cc2e2bcd78a5d362016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 40V, Positive-QTOFsplash10-0006-9000000000-b8eac7dc4808a1d9f7112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 10V, Negative-QTOFsplash10-001i-3900000000-31f6768232f21f3e4e002016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 20V, Negative-QTOFsplash10-03di-9100000000-9fdf642ae20f359705822016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 40V, Negative-QTOFsplash10-0229-9000000000-c83f430beb4a3987f6592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 10V, Negative-QTOFsplash10-03k9-9000000000-ac1c7b8840c3aaf0fd332021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 20V, Negative-QTOFsplash10-00di-9000000000-dfb74ad2df42dc3d26822021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 40V, Negative-QTOFsplash10-05fr-9000000000-4dda77f947191339482e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 10V, Positive-QTOFsplash10-00di-9100000000-c9672a765b39071d53882021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 20V, Positive-QTOFsplash10-00di-9000000000-a890ff5751a31a7fd1c32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-S-1-Propenyl methanesulfinothioate 40V, Positive-QTOFsplash10-00du-9000000000-a76910952a97d6129dbb2021-09-24Wishart 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

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX 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 IDFDB010711
KNApSAcK IDC00056914
Chemspider ID10291382
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14412546
PDB IDNot Available
ChEBI ID173567
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.. .