Record Information
Version1.0
Created at2020-04-17 19:29:21 UTC
Updated at2020-11-18 16:39:41 UTC
CannabisDB IDCDB005300
Secondary Accession NumbersNot Available
Cannabis Compound 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 humans, sulfate is involved in androgen and estrogen metabolism. Sulfate is a potentially toxic compound. A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. Sulfate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
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 Weight98.08
Monoisotopic Molecular Weight97.9674
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
Disposition

Route of exposure:

Source:

Biological location:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point270.47 °CWikipedia
Boiling Point623.89 °CWikipedia
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MSSulfate, 2 TMS, GC-MS Spectrumsplash10-004i-1890000000-89f0078b967c00a9a9edSpectrum
GC-MSSulfate, non-derivatized, GC-MS Spectrumsplash10-0002-0900000000-43f1b52f911b4e214ac8Spectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-03l0-0000003590-05f671599375cad4490eSpectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-01q9-0094000000-638107eff1cc6b910ae4Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ef387cb422577990b211Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0010930000-ce19e55452eca838abd0Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-004i-0000000090-2a1bc5a702132cc43db4Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0uxr-0000000429-5a2d4fe6a3661daf3d2fSpectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-03di-0000000090-1ce41ca8d23b682cdc60Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000091000-4291e93a03097c9e6a8dSpectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001i-0000090000-f2f5721c575841dbe41cSpectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-00di-0032980000-5028b995fe7cea85abe4Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0fk9-0022790000-a58b313e3b16cc52d2c9Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-001u-0024792000-6f97ddc5564176d44e95Spectrum
MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-053u-0034791000-7509a00499854c6624d6Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-5d2aa2f6bf0f4eb4ec93Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-833643e7253228fece13Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000t-9000000000-ccb25da888fc7bae0149Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-7dcf31e8c0a2e5fb7ac0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f2946b7bd5a78d7e9ef8Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1ENPP16q22-q23P22413 details
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3ENPP36q22O14638 details
Arylsulfatase DARSDP51689 details
Arylsulfatase AARSA22q13.33P15289 details
Arylsulfatase BARSBP15848 details
Arylsulfatase EARSEP51690 details
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1PAPSS14q24O43252 details
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2PAPSS210q24O95340 details
Steryl-sulfataseSTSXp22.32P08842 details
Glutathione S-transferase Mu 2GSTM21p13.3P28161 details
Glutathione S-transferase Mu 1GSTM11p13.3P09488 details
Microsomal glutathione S-transferase 3MGST31q23O14880 details
Glutathione S-transferase Mu 3GSTM31p13.3P21266 details
Glutathione S-transferase A1GSTA16p12.1P08263 details
Maleylacetoacetate isomeraseGSTZ114q24.3O43708 details
Glutathione S-transferase Mu 5GSTM51p13.3P46439 details
Microsomal glutathione S-transferase 2MGST24q28.3Q99735 details
Glutathione S-transferase omega-1GSTO110q25.1P78417 details
Glutathione S-transferase A5GSTA56p12.2Q7RTV2 details
Glutathione S-transferase A2GSTA26p12.1P09210 details
Glutathione S-transferase A3GSTA36p12.1Q16772 details
Glutathione S-transferase A4GSTA46p12.1O15217 details
Glutathione S-transferase omega-2GSTO210q25.1Q9H4Y5 details
Glutathione S-transferase theta-1GSTT122q11.23P30711 details
Glutathione S-transferase PGSTP111q13P09211 details
Sulfite oxidase, mitochondrialSUOX12q13.2P51687 details
Iduronate 2-sulfataseIDSP22304 details
N-acetylglucosamine-6-sulfataseGNSP15586 details
N-acetylgalactosamine-6-sulfataseGALNSP34059 details
Sulfate transporterSLC26A25q31-q34P50443 details
Glutathione S-transferase theta-2GSTT2P0CG29 details
Transporters
Protein NameGene NameLocusUniprot IDDetails
Sulfate transporterSLC26A25q31-q34P50443 details
Solute carrier family 13 member 4SLC13A47q33Q9UKG4 details
Sodium-independent sulfate anion transporterSLC26A1117q25.3Q86WA9 details
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1ENPP16q22-q23P22413 details
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3ENPP36q22O14638 details
Arylsulfatase BARSBP15848 details
Steryl-sulfataseSTSXp22.32P08842 details
Sulfite oxidase, mitochondrialSUOX12q13.2P51687 details
Iduronate 2-sulfataseIDSP22304 details
N-acetylglucosamine-6-sulfataseGNSP15586 details
N-acetylgalactosamine-6-sulfataseGALNSP34059 details
Receptors
Protein NameGene NameLocusUniprot IDDetails
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1ENPP16q22-q23P22413 details
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3ENPP36q22O14638 details
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0001448
DrugBank IDDB11309
Phenol Explorer Compound IDNot Available
FoodDB 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
General ReferencesNot Available

Only showing the first 10 proteins. There are 44 proteins in total.

Enzymes

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
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
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
ARSD
Uniprot ID:
P51689
Molecular weight:
64859.3
General function:
Involved in catalytic activity
Specific function:
Hydrolyzes cerebroside sulfate.
Gene Name:
ARSA
Uniprot ID:
P15289
Molecular weight:
53805.87
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
ARSB
Uniprot ID:
P15848
Molecular weight:
Not Available
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
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
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
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
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

Transporters

General function:
Inorganic ion transport and metabolism
Specific function:
Sulfate transporter. May play a role in endochondral bone formation.
Gene Name:
SLC26A2
Uniprot ID:
P50443
Molecular weight:
81660.71
General function:
Involved in transporter activity
Specific function:
Sodium/sulfate cotransporter that mediates sulfate reabsorption in the high endothelial venules (HEV)
Gene Name:
SLC13A4
Uniprot ID:
Q9UKG4
Molecular weight:
69357.9
General function:
Involved in secondary active sulfate transmembrane transporter 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:
Q86WA9
Molecular weight:
65298.305

Only showing the first 10 proteins. There are 44 proteins in total.