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Showing metabocard for Sulfate (HMDB0001448)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:43 UTC
HMDB IDHMDB0001448
Secondary Accession Numbers
  • HMDB01448
Metabolite Identification
Common NameSulfate
DescriptionThe sulfate ion is a polyatomic anion with the empirical formula SO42- and a molecular mass of 96.06 daltons; it consists of one central sulfur atom surrounded by four equivalent oxygen atoms in a tetrahedral arrangement. The sulfate ion carries a negative two charge and is the conjugate base of the hydrogen sulfate ion, HSO4-, which is the conjugate base of H2SO4, sulfuric acid. In inorganic chemistry, a sulfate (IUPAC-recommended spelling; also sulphate in British English) is a salt of sulfuric acid. Sulfate aerosols can act as cloud condensation nuclei and this leads to greater numbers of smaller droplets of water. Lots of smaller droplets can diffuse light more efficiently than just a few larger droplets.
Structure
Data?1676999743
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001448 (Sulfate)


  Mrv1652309042000232D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
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3D MOL for HMDB0001448 (Sulfate)

HMDB0001448
     RDKit          3D
Sulfate
  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.7562    1.2446   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.4142    0.0506 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0336    1.1715    1.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962   -0.0805   -0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -0.9859    0.3969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183   -0.5826    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -1.1813   -0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  4  6  1  0
  5  7  1  0
M  END
Download

3D SDF for HMDB0001448 (Sulfate)


  Mrv1652309042000232D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001448

> <DATABASE_NAME>
hmdb

> <SMILES>
OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)

> <INCHI_KEY>
QAOWNCQODCNURD-UHFFFAOYSA-N

> <FORMULA>
H2O4S

> <MOLECULAR_WEIGHT>
98.078

> <EXACT_MASS>
97.967379242

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
6.5092759681163

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfuric acid

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
13.7708

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sulfuric acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001448 (Sulfate)

HMDB0001448
     RDKit          3D
Sulfate
  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.7562    1.2446   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.4142    0.0506 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.0336    1.1715    1.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962   -0.0805   -0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -0.9859    0.3969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183   -0.5826    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -1.1813   -0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  4  6  1  0
  5  7  1  0
M  END
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PDB for HMDB0001448 (Sulfate)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  S   UNK     0       1.540   0.000   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0       1.540  -1.540   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       1.540   1.540   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.080   0.000   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    3    4    5                                             
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    1                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END
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3D PDB for HMDB0001448 (Sulfate)

COMPND    HMDB0001448
HETATM    1  O1  UNL     1      -0.756   1.245  -0.996  1.00  0.00           O  
HETATM    2  S1  UNL     1      -0.101   0.414   0.051  1.00  0.00           S  
HETATM    3  O2  UNL     1       0.034   1.171   1.343  1.00  0.00           O  
HETATM    4  O3  UNL     1       1.396  -0.080  -0.538  1.00  0.00           O  
HETATM    5  O4  UNL     1      -0.975  -0.986   0.397  1.00  0.00           O  
HETATM    6  H1  UNL     1       1.918  -0.583   0.137  1.00  0.00           H  
HETATM    7  H2  UNL     1      -1.516  -1.181  -0.395  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4    6
CONECT    5    7
END
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SMILES for HMDB0001448 (Sulfate)

OS(O)(=O)=O
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INCHI for HMDB0001448 (Sulfate)

InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
[S(OH)2O2]ChEBI
[SO2(OH)2]ChEBI
Acide sulfuriqueChEBI
Acido sulfuricoChEBI
Acidum sulfuricumChEBI
H2SO4ChEBI
SchwefelsaeureloesungenChEBI
Sulphuric acidChEBI
Sulfuric acidKegg
Acide sulphuriqueGenerator
Acido sulphuricoGenerator
Acidum sulphuricumGenerator
SulphateGenerator
SulfateGenerator
Chemical FormulaH2O4S
Average Molecular Weight98.078
Monoisotopic Molecular Weight97.967379242
IUPAC Namesulfuric acid
Traditional Namesulfuric acid
CAS Registry Number14808-79-8
SMILES
OS(O)(=O)=O
InChI Identifier
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChI KeyQAOWNCQODCNURD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as non-metal sulfates. These are inorganic non-metallic compounds containing a sulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal sulfates
Direct ParentNon-metal sulfates
Alternative Parents
Substituents
  • Non-metal sulfate
  • Sulfuric acid
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
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
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.77 m³·mol⁻¹ChemAxon
Polarizability6.51 ųChemAxon
Number of Rings0ChemAxon
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]+116.57631661259
DarkChem[M-H]-108.24431661259
AllCCS[M+H]+117.1832859911
AllCCS[M-H]-130.76432859911
DeepCCS[M+H]+126.86630932474
DeepCCS[M-H]-124.06930932474
DeepCCS[M-2H]-160.58930932474
DeepCCS[M+Na]+135.06630932474
AllCCS[M+H]+117.232859911
AllCCS[M+H-H2O]+112.832859911
AllCCS[M+NH4]+121.232859911
AllCCS[M+Na]+122.432859911
AllCCS[M-H]-130.832859911
AllCCS[M+Na-2H]-136.532859911
AllCCS[M+HCOO]-142.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SulfateOS(O)(=O)=O1614.8Standard polar33892256
SulfateOS(O)(=O)=O654.8Standard non polar33892256
SulfateOS(O)(=O)=O1094.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sulfate,1TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O1150.5Semi standard non polar33892256
Sulfate,1TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O939.7Standard non polar33892256
Sulfate,1TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O1781.9Standard polar33892256
Sulfate,2TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C1182.9Semi standard non polar33892256
Sulfate,2TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C1118.2Standard non polar33892256
Sulfate,2TMS,isomer #1C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C1510.7Standard polar33892256
Sulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O1422.4Semi standard non polar33892256
Sulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O1266.1Standard non polar33892256
Sulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O1917.6Standard polar33892256
Sulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C1668.4Semi standard non polar33892256
Sulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C1710.4Standard non polar33892256
Sulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C1709.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Sulfate GC-MS (2 TMS)splash10-004i-1890000000-89f0078b967c00a9a9ed2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Sulfate GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-43f1b52f911b4e214ac82017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sulfate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , negative-QTOFsplash10-03l0-0000003590-05f671599375cad4490e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , negative-QTOFsplash10-01q9-0094000000-638107eff1cc6b910ae42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , negative-QTOFsplash10-0udi-0010930000-ef387cb422577990b2112017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , negative-QTOFsplash10-0udi-0010930000-ce19e55452eca838abd02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-004i-0000000090-2a1bc5a702132cc43db42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-0uxr-0000000429-5a2d4fe6a3661daf3d2f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-03di-0000000090-1ce41ca8d23b682cdc602017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-001i-0000091000-4291e93a03097c9e6a8d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-001i-0000090000-f2f5721c575841dbe41c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-00di-0032980000-5028b995fe7cea85abe42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-0fk9-0022790000-a58b313e3b16cc52d2c92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-001u-0024792000-6f97ddc5564176d44e952017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Sulfate Linear Ion Trap , positive-QTOFsplash10-053u-0034791000-7509a00499854c6624d62017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 10V, Positive-QTOFsplash10-0002-9000000000-5d2aa2f6bf0f4eb4ec932015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 20V, Positive-QTOFsplash10-0002-9000000000-833643e7253228fece132015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 40V, Positive-QTOFsplash10-000t-9000000000-ccb25da888fc7bae01492015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 10V, Negative-QTOFsplash10-0002-9000000000-7dcf31e8c0a2e5fb7ac02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 20V, Negative-QTOFsplash10-0002-9000000000-f2946b7bd5a78d7e9ef82015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 40V, Negative-QTOFsplash10-0002-9000000000-f2946b7bd5a78d7e9ef82015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 10V, Positive-QTOFsplash10-0002-9000000000-ae8ce07ad2ae7c39fea52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 20V, Positive-QTOFsplash10-000t-9000000000-3085fc92f071a78071502021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 40V, Positive-QTOFsplash10-001i-9000000000-ed3dc6b35f668f33ae1c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 10V, Negative-QTOFsplash10-0002-9000000000-b427a7756f10c58e23532021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 20V, Negative-QTOFsplash10-0002-9000000000-b427a7756f10c58e23532021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sulfate 40V, Negative-QTOFsplash10-0002-9000000000-b427a7756f10c58e23532021-09-22Wishart 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
  • Mitochondria
  • Lysosome
  • Endoplasmic reticulum
Biospecimen Locations
  • Blood
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified215.5 +/- 3.3 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified490.0 (310.0-580.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified3000 +/- 4060 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified2.03 +/- 1.43 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified1.79 +/- 1.25 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified1760 +/- 1010 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified2020 +/- 1460 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified2360 +/- 1930 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified2230 +/- 2060 uMAdult (>18 years old)Both
Normal		 details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
UrineDetected and Quantified2407.89 (2171.05-2697.36) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Metastatic melanoma		 details
UrineDetected and Quantified186 umol/mmol creatinineNewborn (0-30 days old)Not Specified
Molybdenum cofactor deficiency		 details
UrineDetected and Quantified857 umol/mmol creatinineChildren (1-13 years old)Not Specified
Molybdenum cofactor deficiency		 details
Associated Disorders and Diseases
Disease References
Metastatic melanoma
  1. Frankel AE, Coughlin LA, Kim J, Froehlich TW, Xie Y, Frenkel EP, Koh AY: Metagenomic Shotgun Sequencing and Unbiased Metabolomic Profiling Identify Specific Human Gut Microbiota and Metabolites Associated with Immune Checkpoint Therapy Efficacy in Melanoma Patients. Neoplasia. 2017 Oct;19(10):848-855. doi: 10.1016/j.neo.2017.08.004. Epub 2017 Sep 15. [PubMed:28923537 ]
Molybdenum cofactor deficiency
  1. van Gennip AH, Abeling NG, Stroomer AE, Overmars H, Bakker HD: The detection of molybdenum cofactor deficiency: clinical symptomatology and urinary metabolite profile. J Inherit Metab Dis. 1994;17(1):142-5. [PubMed:8051926 ]
Associated OMIM IDsNone
DrugBank IDDB11309
Phenol Explorer Compound IDNot Available
FooDB IDFDB013392
KNApSAcK IDC00007530
Chemspider ID1086
KEGG Compound IDC00059
BioCyc IDNH42SO4
BiGG ID33697
Wikipedia LinkSulfuric_acid
METLIN ID3233
PubChem Compound1117
PDB IDNot Available
ChEBI ID26836
Food Biomarker OntologyNot Available
VMH IDSO4
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceZhang, Qiu-Ju; Wang, Xiao; Chen, Jian-Min; Zhuang, Guo-Shun. Formation of Fe(II) (aq) and sulfate via heterogeneous reaction of SO2 with Fe2O3. Gaodeng Xuexiao Huaxue Xuebao (2006), 27(7), 1347-1350.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Lortat-Jacob H: Interferon and heparan sulphate. Biochem Soc Trans. 2006 Jun;34(Pt 3):461-4. [PubMed:16709188 ]
  2. Rhodes KE, Fawcett JW: Chondroitin sulphate proteoglycans: preventing plasticity or protecting the CNS? J Anat. 2004 Jan;204(1):33-48. [PubMed:14690476 ]
  3. Eisenhofer G, Coughtrie MW, Goldstein DS: Dopamine sulphate: an enigma resolved. Clin Exp Pharmacol Physiol Suppl. 1999 Apr;26:S41-53. [PubMed:10386253 ]
  4. Ho HS, Lim SH, Loo S: The use of magnesium sulphate in the intensive care management of an Asian patient with tetanus. Ann Acad Med Singapore. 1999 Jul;28(4):586-9. [PubMed:10561778 ]
  5. Perrimon N, Bernfield M: Specificities of heparan sulphate proteoglycans in developmental processes. Nature. 2000 Apr 13;404(6779):725-8. [PubMed:10783877 ]
  6. Duley L, Henderson-Smart D: Magnesium sulphate versus diazepam for eclampsia. Cochrane Database Syst Rev. 2000;(2):CD000127. [PubMed:10796145 ]
  7. Duley L, Henderson-Smart D: Magnesium sulphate versus phenytoin for eclampsia. Cochrane Database Syst Rev. 2000;(2):CD000128. [PubMed:10796146 ]
  8. Duffy PE, Fried M: Malaria during pregnancy: parasites, antibodies and chondroitin sulphate A. Biochem Soc Trans. 1999 Aug;27(4):478-82. [PubMed:10917625 ]
  9. Bateman KL, Delehedde M, Sergeant N, Wartelle I, Vidyasagar R, Fernig DG: Heparan sulphate. Regulation of growth factors in the mammary gland. Adv Exp Med Biol. 2000;480:65-9. [PubMed:10959410 ]
  10. McCormick C, Duncan G, Tufaro F: Herpes simplex virus: discovering the link between heparan sulphate and hereditary bone tumours. Rev Med Virol. 2000 Nov-Dec;10(6):373-84. [PubMed:11114076 ]
  11. Manyemba J: Magnesium sulphate for eclampsia: putting the evidence into clinical practice. Cent Afr J Med. 2000 Jun;46(6):166-9. [PubMed:11235060 ]
  12. Duley L, Gulmezoglu AM: Magnesium sulphate versus lytic cocktail for eclampsia. Cochrane Database Syst Rev. 2001;(1):CD002960. [PubMed:11279786 ]
  13. Kornacka MK: [Magnesium sulphate in the treatment of ischemic-hypoxic neonatal encephalopathy]. Neurol Neurochir Pol. 2001 Mar-Apr;35(2):299-308. [PubMed:11599227 ]
  14. Karas Z: [Skin patch test with nickel sulphate--an attempt of broader interpretation of the results]. Pol Merkur Lekarski. 2002 Aug;13(74):143-6. [PubMed:12420348 ]
  15. Morgenstern DA, Asher RA, Fawcett JW: Chondroitin sulphate proteoglycans in the CNS injury response. Prog Brain Res. 2002;137:313-32. [PubMed:12440375 ]
  16. Crowther CA, Hiller JE, Doyle LW: Magnesium sulphate for preventing preterm birth in threatened preterm labour. Cochrane Database Syst Rev. 2002;(4):CD001060. [PubMed:12519550 ]
  17. Kakuta Y, Li L, Pedersen LC, Pedersen LG, Negishi M: Heparan sulphate N-sulphotransferase activity: reaction mechanism and substrate recognition. Biochem Soc Trans. 2003 Apr;31(2):331-4. [PubMed:12653630 ]
  18. Properzi F, Asher RA, Fawcett JW: Chondroitin sulphate proteoglycans in the central nervous system: changes and synthesis after injury. Biochem Soc Trans. 2003 Apr;31(2):335-6. [PubMed:12653631 ]
  19. Kjellen L: Glucosaminyl N-deacetylase/N-sulphotransferases in heparan sulphate biosynthesis and biology. Biochem Soc Trans. 2003 Apr;31(2):340-2. [PubMed:12653633 ]
  20. Catlow K, Deakin JA, Delehedde M, Fernig DG, Gallagher JT, Pavao MS, Lyon M: Hepatocyte growth factor/scatter factor and its interaction with heparan sulphate and dermatan sulphate. Biochem Soc Trans. 2003 Apr;31(2):352-3. [PubMed:12653636 ]
  21. Smetana R, Stuhlinger HG, Kiss K, Glogar DH: Intravenous magnesium sulphate in acute myocardial infarction--is the answer "MAGIC"? Magnes Res. 2003 Mar;16(1):65-9. [PubMed:12735485 ]
  22. Duley L, Gulmezoglu AM, Henderson-Smart DJ: Magnesium sulphate and other anticonvulsants for women with pre-eclampsia. Cochrane Database Syst Rev. 2003;(2):CD000025. [PubMed:12804383 ]
  23. van Horssen J, Wesseling P, van den Heuvel LP, de Waal RM, Verbeek MM: Heparan sulphate proteoglycans in Alzheimer's disease and amyloid-related disorders. Lancet Neurol. 2003 Aug;2(8):482-92. [PubMed:12878436 ]
  24. Markovich D, Murer H: The SLC13 gene family of sodium sulphate/carboxylate cotransporters. Pflugers Arch. 2004 Feb;447(5):594-602. Epub 2003 Aug 12. [PubMed:12915942 ]
  25. Nenci GG: Dermatan sulphate as an antithrombotic drug. Pathophysiol Haemost Thromb. 2002 Sep-Dec;32(5-6):303-7. [PubMed:13679662 ]
  26. Duley L, Henderson-Smart D: Magnesium sulphate versus diazepam for eclampsia. Cochrane Database Syst Rev. 2003;(4):CD000127. [PubMed:14583910 ]
  27. Duley L, Henderson-Smart D: Magnesium sulphate versus phenytoin for eclampsia. Cochrane Database Syst Rev. 2003;(4):CD000128. [PubMed:14583911 ]
  28. Thijs L, Fagard R, Forette F, Nawrot T, Staessen JA: Are low dehydroepiandrosterone sulphate levels predictive for cardiovascular diseases? A review of prospective and retrospective studies. Acta Cardiol. 2003 Oct;58(5):403-10. [PubMed:14609305 ]
  29. Gallagher JT, Turnbull JE: Heparan sulphate in the binding and activation of basic fibroblast growth factor. Glycobiology. 1992 Dec;2(6):523-8. [PubMed:1472758 ]
  30. Crespo-Santiago D: [The extracellular matrix of the central nervous system: chondroitin sulphate type proteoglycans and neural repair]. Rev Neurol. 2004 May 1-15;38(9):843-51. [PubMed:15152354 ]
  31. Gallagher JT, Turnbull JE, Lyon M: Patterns of sulphation in heparan sulphate: polymorphism based on a common structural theme. Int J Biochem. 1992 Apr;24(4):553-60. [PubMed:1516727 ]
  32. Cheuk DK, Chau TC, Lee SL: A meta-analysis on intravenous magnesium sulphate for treating acute asthma. Arch Dis Child. 2005 Jan;90(1):74-7. [PubMed:15613519 ]
  33. Mittendorf R, Pryde PG: A review of the role for magnesium sulphate in preterm labour. BJOG. 2005 Mar;112 Suppl 1:84-8. [PubMed:15715602 ]
  34. Duley L: Evidence and practice: the magnesium sulphate story. Best Pract Res Clin Obstet Gynaecol. 2005 Feb;19(1):57-74. [PubMed:15749066 ]
  35. Rusnati M, Oreste P, Zoppetti G, Presta M: Biotechnological engineering of heparin/heparan sulphate: a novel area of multi-target drug discovery. Curr Pharm Des. 2005;11(19):2489-99. [PubMed:16026302 ]
  36. Hacker U, Nybakken K, Perrimon N: Heparan sulphate proteoglycans: the sweet side of development. Nat Rev Mol Cell Biol. 2005 Jul;6(7):530-41. [PubMed:16072037 ]
  37. Rozenberg P: [Magnesium sulphate for the management of preeclampsia]. Gynecol Obstet Fertil. 2006 Jan;34(1):54-9. Epub 2006 Jan 6. [PubMed:16406662 ]
  38. Vives RR, Lortat-Jacob H, Fender P: Heparan sulphate proteoglycans and viral vectors : ally or foe? Curr Gene Ther. 2006 Feb;6(1):35-44. [PubMed:16475944 ]
  39. Kemp LE, Mulloy B, Gherardi E: Signalling by HGF/SF and Met: the role of heparan sulphate co-receptors. Biochem Soc Trans. 2006 Jun;34(Pt 3):414-7. [PubMed:16709175 ]
  40. Gallagher JT: Multiprotein signalling complexes: regional assembly on heparan sulphate. Biochem Soc Trans. 2006 Jun;34(Pt 3):438-41. [PubMed:16709181 ]
  41. Harmer NJ: Insights into the role of heparan sulphate in fibroblast growth factor signalling. Biochem Soc Trans. 2006 Jun;34(Pt 3):442-5. [PubMed:16709182 ]
  42. Stringer SE: The role of heparan sulphate proteoglycans in angiogenesis. Biochem Soc Trans. 2006 Jun;34(Pt 3):451-3. [PubMed:16709184 ]
  43. Kurup S, Abramsson A, Li JP, Lindahl U, Kjellen L, Betsholtz C, Gerhardt H, Spillmann D: Heparan sulphate requirement in platelet-derived growth factor B-mediated pericyte recruitment. Biochem Soc Trans. 2006 Jun;34(Pt 3):454-5. [PubMed:16709185 ]
  44. Rider CC: Heparin/heparan sulphate binding in the TGF-beta cytokine superfamily. Biochem Soc Trans. 2006 Jun;34(Pt 3):458-60. [PubMed:16709187 ]
  45. Parish CR: The role of heparan sulphate in inflammation. Nat Rev Immunol. 2006 Sep;6(9):633-43. Epub 2006 Aug 18. [PubMed:16917509 ]
  46. Campo GM, Avenoso A, Campo S, Ferlazzo AM, Calatroni A: Chondroitin sulphate: antioxidant properties and beneficial effects. Mini Rev Med Chem. 2006 Dec;6(12):1311-20. [PubMed:17168807 ]
  47. Bishop JR, Schuksz M, Esko JD: Heparan sulphate proteoglycans fine-tune mammalian physiology. Nature. 2007 Apr 26;446(7139):1030-7. [PubMed:17460664 ]
  48. Heisel J, Forster KK: [Therapy of osteoarthritis crystalline glucosamine sulphate/a review of the clinical effcacy]. Arzneimittelforschung. 2007;57(4):203-17. [PubMed:17515291 ]
  49. Doyle LW, Crowther CA, Middleton P, Marret S: Magnesium sulphate for women at risk of preterm birth for neuroprotection of the fetus. Cochrane Database Syst Rev. 2007 Jul 18;(3):CD004661. [PubMed:17636771 ]
  50. Del Rio JA, Soriano E: Overcoming chondroitin sulphate proteoglycan inhibition of axon growth in the injured brain: lessons from chondroitinase ABC. Curr Pharm Des. 2007;13(24):2485-92. [PubMed:17692016 ]
  51. Peng L, Ye L, Guo X, Tan H, Zhou X, Wang C, Li R: Evaluation of formocresol versus ferric sulphate primary molar pulpotomy: a systematic review and meta-analysis. Int Endod J. 2007 Oct;40(10):751-7. Epub 2007 Aug 22. [PubMed:17714467 ]
  52. Bianchi-Bosisio A, D'Agrosa F, Gaboardi F, Gianazza E, Righetti PG: Sodium dodecyl sulphate electrophoresis of urinary proteins. J Chromatogr. 1991 Sep 13;569(1-2):243-60. [PubMed:1939488 ]
  53. Sutton DN, Tremlett MR, Woodcock TE, Nielsen MS: Management of autonomic dysfunction in severe tetanus: the use of magnesium sulphate and clonidine. Intensive Care Med. 1990;16(2):75-80. [PubMed:2094230 ]
  54. Murer H, Markovich D, Biber J: Renal and small intestinal sodium-dependent symporters of phosphate and sulphate. J Exp Biol. 1994 Nov;196:167-81. [PubMed:7823020 ]
  55. Thiele B, Steinbach F: Dextran sulphate induces a PKC and actin independent internalisation of CD4. Immunol Lett. 1994 Sep;42(1-2):105-10. [PubMed:7829123 ]
  56. Scott JE: Keratan sulphate--a 'reserve' polysaccharide? Eur J Clin Chem Clin Biochem. 1994 Apr;32(4):217-23. [PubMed:8038262 ]
  57. van Heerden PV, Jenkins IR, Woods WP, Rossi E, Cameron PD: Death by tanning--a case of fatal basic chromium sulphate poisoning. Intensive Care Med. 1994;20(2):145-7. [PubMed:8201096 ]
  58. Rosen SD, Bertozzi CR: Two selectins converge on sulphate. Leukocyte adhesion. Curr Biol. 1996 Mar 1;6(3):261-4. [PubMed:8805242 ]
  59. Izzo AA, Gaginella TS, Capasso F: The osmotic and intrinsic mechanisms of the pharmacological laxative action of oral high doses of magnesium sulphate. Importance of the release of digestive polypeptides and nitric oxide. Magnes Res. 1996 Jun;9(2):133-8. [PubMed:8878010 ]
  60. Khaw KT: Dehydroepiandrosterone, dehydroepiandrosterone sulphate and cardiovascular disease. J Endocrinol. 1996 Sep;150 Suppl:S149-53. [PubMed:8943798 ]
  61. Coombe DR: The role of stromal cell heparan sulphate in regulating haemopoiesis. Leuk Lymphoma. 1996 May;21(5-6):399-406. [PubMed:9172804 ]
  62. Stringer SE, Gallagher JT: Heparan sulphate. Int J Biochem Cell Biol. 1997 May;29(5):709-14. [PubMed:9251237 ]
  63. McGrath JA, Eady RA: Heparan sulphate proteoglycan and wound healing in skin. J Pathol. 1997 Nov;183(3):251-2. [PubMed:9422978 ]
  64. Gallagher JT: Structure-activity relationship of heparan sulphate. Biochem Soc Trans. 1997 Nov;25(4):1206-9. [PubMed:9449976 ]
  65. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 34 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
General function:
Involved in catalytic activity
Specific function:
Involved primarily in ATP hydrolysis at the plasma membrane. Plays a role in regulating pyrophosphate levels, and functions in bone mineralization and soft tissue calcification. In vitro, has a broad specificity, hydrolyzing other nucleoside 5' triphosphates such as GTP, CTP, TTP and UTP to their corresponding monophosphates with release of pyrophosphate and diadenosine polyphosphates, and also 3',5'-cAMP to AMP. May also be involved in the regulation of the availability of nucleotide sugars in the endoplasmic reticulum and Golgi, and the regulation of purinergic signaling. Appears to modulate insulin sensitivity.
Gene Name:
ENPP1
Uniprot ID:
P22413
Molecular weight:
104923.58
Enzyme Details
2. Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
General function:
Involved in catalytic activity
Specific function:
Cleaves a variety of phosphodiester and phosphosulfate bonds including deoxynucleotides, nucleotide sugars, and NAD (By similarity).
Gene Name:
ENPP3
Uniprot ID:
O14638
Molecular weight:
100123.54
Enzyme Details
3. Arylsulfatase D
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
ARSD
Uniprot ID:
P51689
Molecular weight:
64859.3
Enzyme Details
4. Arylsulfatase A
General function:
Involved in catalytic activity
Specific function:
Hydrolyzes cerebroside sulfate.
Gene Name:
ARSA
Uniprot ID:
P15289
Molecular weight:
53805.87
Enzyme Details
5. Arylsulfatase B
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
ARSB
Uniprot ID:
P15848
Molecular weight:
Not Available
Enzyme Details
6. Arylsulfatase E
General function:
Involved in catalytic activity
Specific function:
May be essential for the correct composition of cartilage and bone matrix during development. Has no activity toward steroid sulfates
Gene Name:
ARSE
Uniprot ID:
P51690
Molecular weight:
65668.4
Enzyme Details
7. Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1
General function:
Involved in ATP binding
Specific function:
Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase). In mammals, PAPS is the sole source of sulfate; APS appears to be only an intermediate in the sulfate-activation pathway. Also involved in the biosynthesis of sulfated L-selectin ligands in endothelial cells.
Gene Name:
PAPSS1
Uniprot ID:
O43252
Molecular weight:
70832.725
Enzyme Details
8. Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
General function:
Involved in ATP binding
Specific function:
Bifunctional enzyme with both ATP sulfurylase and APS kinase activity, which mediates two steps in the sulfate activation pathway. The first step is the transfer of a sulfate group to ATP to yield adenosine 5'-phosphosulfate (APS), and the second step is the transfer of a phosphate group from ATP to APS yielding 3'-phosphoadenylylsulfate (PAPS: activated sulfate donor used by sulfotransferase). In mammals, PAPS is the sole source of sulfate; APS appears to be only an intermediate in the sulfate-activation pathway. May have a important role in skeletogenesis during postnatal growth (By similarity).
Gene Name:
PAPSS2
Uniprot ID:
O95340
Molecular weight:
69969.8
Enzyme Details
9. Steryl-sulfatase
General function:
Involved in catalytic activity
Specific function:
Conversion of sulfated steroid precursors to estrogens during pregnancy.
Gene Name:
STS
Uniprot ID:
P08842
Molecular weight:
65491.72
Enzyme Details
10. Glutathione S-transferase Mu 2
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular weight:
25744.395

Only showing the first 10 proteins. There are 34 proteins in total.

Show all enzymes and transporters