Record Information
Version1.0
Creation Date2016-09-30 22:46:07 UTC
Update Date2020-05-21 16:28:36 UTC
BMDB IDBMDB0001448
Secondary Accession Numbers
  • BMDB01448
Metabolite Identification
Common NameSulfate
DescriptionSulfate, also known as sulphuric acid or sulphate, 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. Sulfate is an extremely strong acidic compound (based on its pKa). Sulfate exists in all living species, ranging from bacteria to humans. dehydroepiandrosterone and sulfate can be biosynthesized from dehydroepiandrosterone sulfate through its interaction with the enzyme steryl-sulfatase. In cattle, sulfate is involved in the metabolic pathway called the androgen and estrogen metabolism pathway. Sulfate is a potentially toxic compound.
Structure
Thumb
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 Number7664-93-9
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
StatusDetected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
  • Endoplasmic reticulum
  • Lysosome
  • Mitochondria
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
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
Biological Properties
Cellular Locations
  • Cytoplasm
  • Endoplasmic reticulum
  • Lysosome
  • Mitochondria
Biospecimen Locations
  • Liver
  • Mammary Gland
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0001448
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
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)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in electron carrier activity
Specific function:
Not Available
Gene Name:
SUOX
Uniprot ID:
Q3MHX0
Molecular weight:
60501.0
Reactions
Sulfite + Oxygen + Water → Sulfate + Hydrogen peroxidedetails
General function:
Inorganic ion transport and metabolism
Specific function:
Hydrolyzes cerebroside sulfate.
Gene Name:
ARSA
Uniprot ID:
Q08DD1
Molecular weight:
53807.0
Reactions
3-O-Sulfogalactosylceramide (d18:1/24:0) + Water → Galactosylceramide (d18:1/16:0) + Sulfatedetails
DHEA sulfate + Water → Dehydroepiandrosterone + Sulfatedetails
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
MPST
Uniprot ID:
Q3MHG3
Molecular weight:
33193.0
General function:
Inorganic ion transport and metabolism
Specific function:
Together with MRPL18, acts as a mitochondrial import factor for the cytosolic 5S rRNA. Only the nascent unfolded cytoplasmic form is able to bind to the 5S rRNA (By similarity). Formation of iron-sulfur complexes and cyanide detoxification. Binds molecular oxygen and sulfur.
Gene Name:
TST
Uniprot ID:
P00586
Molecular weight:
33296.0
General function:
Involved in calcium ion binding
Specific function:
Endoglycosidase that cleaves heparan sulfate proteoglycans (HSPGs) into heparan sulfate side chains and core proteoglycans. Participates in extracellular matrix (ECM) degradation and remodeling. Selectively cleaves the linkage between a glucuronic acid unit and an N-sulfo glucosamine unit carrying either a 3-O-sulfo or a 6-O-sulfo group. Can also cleave the linkage between a glucuronic acid unit and an N-sulfo glucosamine unit carrying a 2-O-sulfo group, but not linkages between a glucuronic acid unit and a 2-O-sulfated iduronic acid moiety. Essentially inactive at neutral pH but becomes active under acidic conditions such as during tumor invasion and in inflammatory processes. Facilitates cell migration associated with metastasis, wound healing and inflammation. Enhances shedding of syndecans. Acts as procoagulant by enhancing the generation of activated factor X/F10 in the presence of tissue factor/TF and activated factor VII/F7. Independent of its enzymatic activity, increases cell adhesion to the extracellular matrix (ECM). Enhances AKT1/PKB phosphorylation, possibly via interaction with a lipid raft-resident receptor. Plays a role in the regulation of osteogenesis. Enhances angiogenesis through up-regulation of SRC-mediated activation of VEGF. Implicated in hair follicle inner root sheath differentiation and hair homeostasis (By similarity).
Gene Name:
HPSE
Uniprot ID:
Q9MYY0
Molecular weight:
61077.0
General function:
Involved in calcium ion binding
Specific function:
May play a role in the structural integrity of cartilage via its interaction with other extracellular matrix proteins such as the collagens and fibronectin. Can mediate the interaction of chondrocytes with the cartilage extracellular matrix through interaction with cell surface integrin receptors. Could play a role in the pathogenesis of osteoarthritis. Potent suppressor of apoptosis in both primary chondrocytes and transformed cells. Suppresses apoptosis by blocking the activation of caspase-3 and by inducing the IAP family of survival proteins (BIRC3, BIRC2, BIRC5 and XIAP). Essential for maintaining a vascular smooth muscle cells (VSMCs) contractile/differentiated phenotype under physiological and pathological stimuli. Maintains this phenotype of VSMCs by interacting with ITGA7 (By similarity).
Gene Name:
COMP
Uniprot ID:
P35445
Molecular weight:
82362.0
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
TSTD3
Uniprot ID:
A8R4B3
Molecular weight:
17869.0
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
SLC26A6
Uniprot ID:
Q08DQ8
Molecular weight:
83332.0
General function:
Inorganic ion transport and metabolism
Specific function:
Acts as a DIDS-sensitive anion exchanger mediating chloride, sulfate and oxalate transport. May fulfill critical anion exchange functions in male germ line during meiosis and hence may play a role in spermatogenesis. May be involved in a new regulatory pathway linking sulfate transport to RhoGTPase signaling in male germ cells. A critical component of the sperm annulus that is essential for correct sperm tail differentiation and motility and hence male fertility (By similarity).
Gene Name:
SLC26A8
Uniprot ID:
A6QNW6
Molecular weight:
108744.0
General function:
Involved in cytokine activity
Specific function:
Growth factor active in angiogenesis, vasculogenesis and endothelial cell growth. Induces endothelial cell proliferation, promotes cell migration, inhibits apoptosis and induces permeabilization of blood vessels. Binds to the FLT1/VEGFR1 and KDR/VEGFR2 receptors, heparan sulfate and heparin (By similarity). Binding to NRP1 receptor initiates a signaling pathway needed for motor neuron axon guidance and cell body migration, including for the caudal migration of facial motor neurons from rhombomere 4 to rhombomere 6 during embryonic development (By similarity).
Gene Name:
VEGFA
Uniprot ID:
P15691
Molecular weight:
22310.0
General function:
Involved in anion exchanger activity
Specific function:
Exhibits sodium-independent sulfate anion transporter activity that may cooperate with SLC26A2 to mediate DIDS-sensitive sulfate uptake into high endothelial venules endothelial cells (HEVEC).
Gene Name:
SLC26A11
Uniprot ID:
Q58DD2
Molecular weight:
65350.0
General function:
Cell wall/membrane/envelope biogenesis
Specific function:
May anchor basement membranes to the underlying connective tissue.
Gene Name:
PRELP
Uniprot ID:
Q9GKN8
Molecular weight:
43683.0
General function:
Inorganic ion transport and metabolism
Specific function:
Sulfate transporter. May play a role in endochondral bone formation.
Gene Name:
SLC26A2
Uniprot ID:
Q9BEG8
Molecular weight:
81540.0
General function:
Involved in calcium ion binding
Specific function:
Receptor potentially involved in both adhesion and signaling processes early after leukocyte activation. Plays an essential role in leukocyte migration.
Gene Name:
ADGRE5
Uniprot ID:
Q8SQA4
Molecular weight:
80322.0
General function:
Inorganic ion transport and metabolism
Specific function:
Chloride/bicarbonate exchanger.
Gene Name:
SLC26A3
Uniprot ID:
A4IFH8
Molecular weight:
84344.0
General function:
Not Available
Specific function:
Not Available
Gene Name:
PAPSS2
Uniprot ID:
Q0VC88
Molecular weight:
69672.0
Reactions
Adenosine triphosphate + Sulfate → Adenosine phosphosulfate + Pyrophosphatedetails