Record Information
Version2.0
Creation Date2012-05-31 13:52:54 -0600
Update Date2015-09-17 15:41:11 -0600
Secondary Accession Numbers
  • ECMDB01448
Identification
Name:Sulfate
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
Thumb
Synonyms:
  • H2SO4
  • SO4--
  • SO4-2
  • SO42-
  • SO4--
  • SO4-2
  • SO42-
  • Sulfate (ion 2-)
  • Sulfate anion
  • Sulfate anion(2-)
  • Sulfate dianion
  • Sulfate ion
  • Sulfate ion (SO42-)
  • Sulfate ion(2-)
  • Sulfate(2-)
  • Sulfuric acid
  • Sulfuric acid (ion 2-)
  • Sulfuric acid anion
  • Sulfuric acid anion(2-)
  • Sulfuric acid dianion
  • Sulfuric acid ion
  • Sulfuric acid ion (so42-)
  • Sulfuric acid ion(2-)
  • Sulfuric acid(2-)
  • Sulphate
  • Sulphate (ion 2-)
  • Sulphate anion
  • Sulphate anion(2-)
  • Sulphate dianion
  • Sulphate ion
  • Sulphate ion (SO42-)
  • Sulphate ion(2-)
  • Sulphate(2-)
  • Sulphuric acid
  • Sulphuric acid (ion 2-)
  • Sulphuric acid anion
  • Sulphuric acid anion(2-)
  • Sulphuric acid dianion
  • Sulphuric acid ion
  • Sulphuric acid ion (so42-)
  • Sulphuric acid ion(2-)
  • Sulphuric acid(2-)
Chemical Formula:O4S
Weight:Average: 96.063
Monoisotopic: 95.951729178
InChI Key:QAOWNCQODCNURD-UHFFFAOYSA-L
InChI:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
CAS number:14808-79-8
IUPAC Name:sulfuric acid
Traditional IUPAC Name:sulfuric acid
SMILES:[O-]S([O-])(=O)=O
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
Physical Properties
State:Solid
Charge:-2
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted 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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
ADP + Phosphate + 4 Hydrogen ion + Heme + Nickel(2+) + Iron chelate + Taurine + Molybdate + Magnesium + Fe3+ + Potassium + Polyamine + vitamin B12 + Sulfate + glycerol-3-phosphate + Phosphonate + D-Maltose <> Adenosine triphosphate +3 Hydrogen ion + Water
Adenosine triphosphate + Water + Sulfate > ADP + Hydrogen ion + Phosphate + Sulfate
Adenosine triphosphate + Water + Sulfate > ADP + Hydrogen ion + Phosphate + Sulfate
Adenosine triphosphate + Guanosine triphosphate + Water + Sulfate > Adenosine phosphosulfate + Guanosine diphosphate + Phosphate + Pyrophosphate
Adenosine triphosphate + Sulfate <> Pyrophosphate + Adenosine phosphosulfate
Estrone 3-sulfate + Water <> Sulfate + Estrone
Sulfatide + Water <> Galactosylceramide + Sulfate
Sulfate + Water + Adenosine triphosphate > Sulfate + Phosphate + ADP + Hydrogen ion
Sulfate + Water + Adenosine triphosphate > Sulfate + Phosphate + ADP + Hydrogen ion
Water + a phenol sulfate <> Sulfate + a phenol
Hydrogen ion + Sulfate + Adenosine triphosphate > Adenosine phosphosulfate + Pyrophosphate
A phenol sulfate + Water > a phenol + Sulfate
Adenosine triphosphate + Sulfate > Pyrophosphate + Adenosine phosphosulfate
Aryl sulfate + Water <> Phenol + Sulfate
Adenosine triphosphate + Hydrogen ion + Sulfate + Sulfate > Adenosine phosphosulfate + Pyrophosphate
Adenosine triphosphate + Water + Sulfate + Sulfate > Adenosine diphosphate + Phosphate + Hydrogen ion + Sulfate + ADP
Adenosine triphosphate + Sulfate <> Pyrophosphate + Adenosine phosphosulfate
Adenosine triphosphate + Sulfate <> Pyrophosphate + Adenosine phosphosulfate
SMPDB Pathways:
Sulfur metabolismPW000922 ThumbThumb?image type=greyscaleThumb?image type=simple
cysteine biosynthesisPW000800 ThumbThumb?image type=greyscaleThumb?image type=simple
inner membrane transportPW000786 ThumbThumb?image type=greyscaleThumb?image type=simple
sulfur metabolism (butanesulfonate)PW000923 ThumbThumb?image type=greyscaleThumb?image type=simple
sulfur metabolism (ethanesulfonate)PW000925 ThumbThumb?image type=greyscaleThumb?image type=simple
sulfur metabolism (isethionate)PW000926 ThumbThumb?image type=greyscaleThumb?image type=simple
sulfur metabolism (methanesulfonate)PW000927 ThumbThumb?image type=greyscaleThumb?image type=simple
sulfur metabolism (propanesulfonate)PW000924 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
EcoCyc Pathways:
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-004i-1890000000-89f0078b967c00a9a9edView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-43f1b52f911b4e214ac8View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-03l0-0000003590-05f671599375cad4490eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-01q9-0094000000-638107eff1cc6b910ae4View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ef387cb422577990b211View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ce19e55452eca838abd0View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-004i-0000000090-2a1bc5a702132cc43db4View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0uxr-0000000429-5a2d4fe6a3661daf3d2fView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-03di-0000000090-1ce41ca8d23b682cdc60View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000091000-4291e93a03097c9e6a8dView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000090000-f2f5721c575841dbe41cView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-00di-0032980000-5028b995fe7cea85abe4View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0fk9-0022790000-a58b313e3b16cc52d2c9View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001u-0024792000-6f97ddc5564176d44e95View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-053u-0034791000-7509a00499854c6624d6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-5d2aa2f6bf0f4eb4ec93View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-833643e7253228fece13View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000t-9000000000-ccb25da888fc7bae0149View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-7dcf31e8c0a2e5fb7ac0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-ae8ce07ad2ae7c39fea5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000t-9000000000-3085fc92f071a7807150View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-ed3dc6b35f668f33ae1cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-b427a7756f10c58e2353View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-b427a7756f10c58e2353View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-b427a7756f10c58e2353View in MoNA
References
References:
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
  • van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
  • Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064
Synthesis Reference:Zhang, 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)
External Links:
ResourceLink
CHEBI ID16189
HMDB IDHMDB01448
Pubchem Compound ID1117
Kegg IDC00059
ChemSpider ID1085
WikipediaSulfate
BioCyc IDSULFATE
EcoCyc IDSULFATE
Ligand ExpoSUL

Enzymes

General function:
Involved in nucleotide binding
Specific function:
Part of the ABC transporter complex cysAWTP involved in sulfate/thiosulfate import. Responsible for energy coupling to the transport system
Gene Name:
cysA
Uniprot ID:
P16676
Molecular weight:
41059
Reactions
ATP + H(2)O + sulfate(Out) = ADP + phosphate + sulfate(In).
General function:
Involved in catalytic activity
Specific function:
ATP + sulfate = diphosphate + adenylyl sulfate
Gene Name:
cysD
Uniprot ID:
P21156
Molecular weight:
35188
Reactions
ATP + sulfate = diphosphate + adenylyl sulfate.
General function:
Involved in GTPase activity
Specific function:
May be the GTPase, regulating ATP sulfurylase activity
Gene Name:
cysN
Uniprot ID:
P23845
Molecular weight:
52558
Reactions
ATP + sulfate = diphosphate + adenylyl sulfate.
General function:
Involved in catalytic activity
Specific function:
A phenol sulfate + H(2)O = a phenol + sulfate
Gene Name:
aslA
Uniprot ID:
P25549
Molecular weight:
60717
Reactions
A phenol sulfate + H(2)O = a phenol + sulfate.
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
cysW
Uniprot ID:
P0AEB0
Molecular weight:
32537
General function:
Involved in transporter activity
Specific function:
Part of the binding-protein-dependent transport system for molybdenum; probably responsible for the translocation of the substrate across the membrane
Gene Name:
modB
Uniprot ID:
P0AF01
Molecular weight:
24939
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
cysU
Uniprot ID:
P16701
Molecular weight:
30292
General function:
Involved in transporter activity
Specific function:
Part of a binding-protein-dependent transport system for aliphatic sulfonates. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
ssuC
Uniprot ID:
P75851
Molecular weight:
28925
General function:
Involved in transporter activity
Specific function:
This protein specifically binds sulfate and is involved in its transmembrane transport
Gene Name:
sbp
Uniprot ID:
P0AG78
Molecular weight:
36659
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. This protein specifically binds thiosulfate and is involved in its transmembrane transport
Gene Name:
cysP
Uniprot ID:
P16700
Molecular weight:
37614
General function:
Involved in nucleotide binding
Specific function:
Part of the ABC transporter complex ModABC involved in molybdenum import. Responsible for energy coupling to the transport system
Gene Name:
modC
Uniprot ID:
P09833
Molecular weight:
39102
Reactions
ATP + H(2)O + molybdate(Out) = ADP + phosphate + molybdate(In).
General function:
Involved in molybdate transmembrane-transporting ATPase activity
Specific function:
Involved in the transport of molybdenum into the cell. Binds molybdate with high specificity and affinity
Gene Name:
modA
Uniprot ID:
P37329
Molecular weight:
27364

Transporters

General function:
Involved in nucleotide binding
Specific function:
Part of the ABC transporter complex cysAWTP involved in sulfate/thiosulfate import. Responsible for energy coupling to the transport system
Gene Name:
cysA
Uniprot ID:
P16676
Molecular weight:
41059
Reactions
ATP + H(2)O + sulfate(Out) = ADP + phosphate + sulfate(In).
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
cysW
Uniprot ID:
P0AEB0
Molecular weight:
32537
General function:
Involved in transporter activity
Specific function:
Part of the binding-protein-dependent transport system for molybdenum; probably responsible for the translocation of the substrate across the membrane
Gene Name:
modB
Uniprot ID:
P0AF01
Molecular weight:
24939
General function:
Involved in secondary active sulfate transmembrane transporter activity
Specific function:
Possible sulfate transporter
Gene Name:
ychM
Uniprot ID:
P0AFR2
Molecular weight:
59428
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
cysU
Uniprot ID:
P16701
Molecular weight:
30292
General function:
Involved in transporter activity
Specific function:
Part of a binding-protein-dependent transport system for aliphatic sulfonates. Probably responsible for the translocation of the substrate across the membrane
Gene Name:
ssuC
Uniprot ID:
P75851
Molecular weight:
28925
General function:
Involved in transporter activity
Specific function:
This protein specifically binds sulfate and is involved in its transmembrane transport
Gene Name:
sbp
Uniprot ID:
P0AG78
Molecular weight:
36659
General function:
Involved in transporter activity
Specific function:
Non-specific porin
Gene Name:
ompN
Uniprot ID:
P77747
Molecular weight:
41220
General function:
Involved in transporter activity
Specific function:
Part of the ABC transporter complex cysAWTP (TC 3.A.1.6.1) involved in sulfate/thiosulfate import. This protein specifically binds thiosulfate and is involved in its transmembrane transport
Gene Name:
cysP
Uniprot ID:
P16700
Molecular weight:
37614
General function:
Involved in transporter activity
Specific function:
Uptake of inorganic phosphate, phosphorylated compounds, and some other negatively charged solutes
Gene Name:
phoE
Uniprot ID:
P02932
Molecular weight:
38922
General function:
Involved in transporter activity
Specific function:
OmpF is a porin that forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane. It is also a receptor for the bacteriophage T2
Gene Name:
ompF
Uniprot ID:
P02931
Molecular weight:
39333
General function:
Involved in nucleotide binding
Specific function:
Part of the ABC transporter complex ModABC involved in molybdenum import. Responsible for energy coupling to the transport system
Gene Name:
modC
Uniprot ID:
P09833
Molecular weight:
39102
Reactions
ATP + H(2)O + molybdate(Out) = ADP + phosphate + molybdate(In).
General function:
Involved in transporter activity
Specific function:
Forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane
Gene Name:
ompC
Uniprot ID:
P06996
Molecular weight:
40368
General function:
Involved in molybdate transmembrane-transporting ATPase activity
Specific function:
Involved in the transport of molybdenum into the cell. Binds molybdate with high specificity and affinity
Gene Name:
modA
Uniprot ID:
P37329
Molecular weight:
27364