Showing Compound Card for Hydrogen carbonate (CDB005102)

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Record Information
Version1.0
Created at2020-04-17 19:09:31 UTC
Updated at2020-12-07 19:11:35 UTC
CannabisDB IDCDB005102
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameHydrogen carbonate
DescriptionHydrogen carbonate, also known as H2CO3 or [co(OH)2], belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group. Bicarbonate also acts to regulate pH in the small intestine. Hydrogen carbonate is a very weakly acidic compound (based on its pKa). A parallel example is sodium bisulfite (NaHSO3). Hydrogen carbonate exists in all living species, ranging from bacteria to humans. In humans, hydrogen carbonate is involved in the metabolic disorder called the hartnup disorder pathway. Outside of the human body, Hydrogen carbonate has been detected, but not quantified in, several different foods, such as lovages, lima beans, tree ferns, mountain yams, and burbots. This could make hydrogen carbonate a potential biomarker for the consumption of these foods. As such it is an important sink in the carbon cycle. It is isoelectronic with nitric acid HNO3. Hydrogen carbonate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Chemical FormulaCH2O3
Average Molecular Weight62.02
Monoisotopic Molecular Weight62.0004
IUPAC Namecarbonic acid
Traditional Namecarbonic acid
CAS Registry Number463-79-6
SMILES
OC(O)=O
InChI Identifier
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
InChI KeyBVKZGUZCCUSVTD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassOrganic carbonic acids
Direct ParentOrganic carbonic acids
Alternative Parents
Substituents
  • Carbonic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point720 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility12.8 mg/mL (cold water)MERCK INDEX (1996)
logP0.0Wikipedia
Predicted Properties
PropertyValueSource
logP0.6ALOGPS
logP0.25ChemAxon
logS0.57ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.5 m³·mol⁻¹ChemAxon
Polarizability4.23 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSHydrogen carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-03di-9000000000-310dbbc64fba7d9c667eSpectrum
Predicted GC-MSHydrogen carbonate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00du-9300000000-b9ab1da5629a3dfff55fSpectrum
Predicted GC-MSHydrogen carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSHydrogen carbonate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSHydrogen carbonate, TBDMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSHydrogen carbonate, TBDMS_2_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Transporters
Protein NameGene NameLocusUniprot IDDetails
Cystic fibrosis transmembrane conductance regulatorCFTR7q31.2P13569 details
Electrogenic sodium bicarbonate cotransporter 1SLC4A44q21Q9Y6R1 details
Sodium-driven chloride bicarbonate exchangerSLC4A102q23-q24Q6U841 details
Chloride anion exchangerSLC26A37q31P40879 details
Sodium bicarbonate cotransporter 3SLC4A73p22Q9Y6M7 details
Solute carrier family 26 member 9SLC26A91q32.1Q7LBE3 details
Anion exchange transporterSLC26A78q23Q8TE54 details
Electrogenic sodium bicarbonate cotransporter 4SLC4A52p13Q9BY07 details
Solute carrier family 26 member 10SLC26A1012q13Q8NG04 details
PrestinSLC26A57q22.1P58743 details
Sodium/hydrogen exchanger 10SLC9A103q13.2Q4G0N8 details
Metal Bindings
Receptors
Protein NameGene NameLocusUniprot IDDetails
Inositol polyphosphate 5-phosphatase OCRL-1OCRLXq25Q01968 details
Sodium bicarbonate cotransporter 3SLC4A73p22Q9Y6M7 details
Transcriptional Factors
Protein NameGene NameLocusUniprot IDDetails
Carbonic anhydrase 9CA99p13.3Q16790 details
Concentrations Data
Not Available
HMDB IDHMDB0000595
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB023191
KNApSAcK IDNot Available
Chemspider ID747
KEGG Compound IDC01353
BioCyc IDNot Available
BiGG ID1436647
Wikipedia LinkCarbonic acid
METLIN ID6944
PubChem Compound767
PDB IDNot Available
ChEBI ID28976
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 60 proteins in total.

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Enzymes

Enzyme Details
1. Acetyl-CoA carboxylase 2
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACB
Uniprot ID:
O00763
Molecular weight:
276538.575
Enzyme Details
2. Pyruvate carboxylase, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Pyruvate carboxylase catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second. Catalyzes in a tissue specific manner, the initial reactions of glucose (liver, kidney) and lipid (adipose tissue, liver, brain) synthesis from pyruvate.
Gene Name:
PC
Uniprot ID:
P11498
Molecular weight:
129632.565
Enzyme Details
3. Acetyl-CoA carboxylase 1
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Catalyzes the rate-limiting reaction in the biogenesis of long-chain fatty acids. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:
ACACA
Uniprot ID:
Q13085
Molecular weight:
269997.01
Enzyme Details
4. Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Plays a role in valine and pyrimidine metabolism. Binds fatty acyl-CoA.
Gene Name:
ALDH6A1
Uniprot ID:
Q02252
Molecular weight:
57839.31
Enzyme Details
5. Bile salt-activated lipase
General function:
Lipid transport and metabolism
Specific function:
Catalyzes fat and vitamin absorption. Acts in concert with pancreatic lipase and colipase for the complete digestion of dietary triglycerides.
Gene Name:
CEL
Uniprot ID:
P19835
Molecular weight:
79666.385
Enzyme Details
6. Propionyl-CoA carboxylase beta chain, mitochondrial
General function:
Involved in ligase activity
Specific function:
Not Available
Gene Name:
PCCB
Uniprot ID:
P05166
Molecular weight:
58215.13
Enzyme Details
7. Propionyl-CoA carboxylase alpha chain, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
PCCA
Uniprot ID:
P05165
Molecular weight:
80058.295
Enzyme Details
8. Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial
General function:
Involved in ligase activity
Specific function:
Not Available
Gene Name:
MCCC2
Uniprot ID:
Q9HCC0
Molecular weight:
61332.65
Enzyme Details
9. Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
MCCC1
Uniprot ID:
Q96RQ3
Molecular weight:
80472.45
Enzyme Details
10. Inositol polyphosphate 5-phosphatase OCRL-1
General function:
Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:
Converts phosphatidylinositol 4,5-bisphosphate to phosphatidylinositol 4-phosphate. Also converts inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate and inositol 1,3,4,5-tetrakisphosphate to inositol 1,3,4-trisphosphate. May function in lysosomal membrane trafficking by regulating the specific pool of phosphatidylinositol 4,5-bisphosphate that is associated with lysosomes. Involved in primary cilia assembly.
Gene Name:
OCRL
Uniprot ID:
Q01968
Molecular weight:
104203.78

Transporters

Enzyme Details
1. Cystic fibrosis transmembrane conductance regulator
General function:
Involved in ATP binding
Specific function:
Involved in the transport of chloride ions. May regulate bicarbonate secretion and salvage in epithelial cells by regulating the SLC4A7 transporter. Can inhibit the chloride channel activity of ANO1.
Gene Name:
CFTR
Uniprot ID:
P13569
Molecular weight:
168139.895
Enzyme Details
2. Electrogenic sodium bicarbonate cotransporter 1
General function:
Involved in anion transport
Specific function:
Electrogenic sodium/bicarbonate cotransporter with a Na(+):HCO3(-) stoichiometry varying from 1:2 to 1:3. May regulate bicarbonate influx/efflux at the basolateral membrane of cells and regulate intracellular pH
Gene Name:
SLC4A4
Uniprot ID:
Q9Y6R1
Molecular weight:
121459.4
Enzyme Details
3. Sodium-driven chloride bicarbonate exchanger
General function:
Involved in inorganic anion exchanger activity
Specific function:
Electrogenic sodium/bicarbonate cotransporter in exchange for intracellular chloride. Plays an important role in regulating intracellular pH
Gene Name:
SLC4A10
Uniprot ID:
Q6U841
Molecular weight:
125945.1
Enzyme Details
4. Chloride anion exchanger
General function:
Involved in secondary active sulfate transmembrane transporter activity
Specific function:
Chloride/bicarbonate exchanger. Involved in absorbtion of in the colon. Helps mediate electrolyte and fluid absorption
Gene Name:
SLC26A3
Uniprot ID:
P40879
Molecular weight:
84504.0
Enzyme Details
5. Sodium bicarbonate cotransporter 3
General function:
Involved in anion transport
Specific function:
Electroneutral sodium- and bicarbonate-dependent cotransporter with a Na(+):HCO3(-) 1:1 stoichiometry. Regulates intracellular pH and may play a role in bicarbonate salvage in secretory epithelia. May also have an associated sodium channel activity.
Gene Name:
SLC4A7
Uniprot ID:
Q9Y6M7
Molecular weight:
127358.16
Enzyme Details
6. Solute carrier family 26 member 9
General function:
Involved in secondary active sulfate transmembrane transporter activity
Specific function:
DIDS- and thiosulfate- sensitive anion exchanger mediating chloride, sulfate and oxalate transport. Mediates chloride/bicarbonate exchange or chloride-independent bicarbonate extrusion thus assuring bicarbonate secretion. Inhibited by ammonium and thiosulfate
Gene Name:
SLC26A9
Uniprot ID:
Q7LBE3
Molecular weight:
86987.5
Enzyme Details
7. Anion exchange transporter
General function:
Involved in transporter activity
Specific function:
Acts as a sodium-independent DIDS-sensitive anion exchanger mediating bicarbonate, chloride, sulfate and oxalate transport. May play a role in the maintenance of the electrolyte and acid-base homeostasis in the kidney, by acting as a distal excretory segment-specific anion exchanger. Plays a major role in gastric acid secretion
Gene Name:
SLC26A7
Uniprot ID:
Q8TE54
Molecular weight:
72212.2
Enzyme Details
8. Electrogenic sodium bicarbonate cotransporter 4
General function:
Involved in anion transport
Specific function:
Mediates sodium- and bicarbonate-dependent electrogenic sodium bicarbonate cotransport, with a Na(+):HCO3(-) stoichiometry of 2:1. May have a housekeeping function in regulating the pH of tissues in which it is expressed. May play a role in mediating Na(+):HCO3(-) cotransport in hepatocytes and intrahepatic cholangiocytes. Also may be important in protecting the renal paranchyma from alterations in urine pH
Gene Name:
SLC4A5
Uniprot ID:
Q9BY07
Molecular weight:
126254.0
Enzyme Details
9. Solute carrier family 26 member 10
General function:
Involved in transporter activity
Specific function:
Chloride/bicarbonate exchanger
Gene Name:
SLC26A10
Uniprot ID:
Q8NG04
Molecular weight:
60058.5
Enzyme Details
10. Prestin
General function:
Involved in secondary active sulfate transmembrane transporter activity
Specific function:
Motor protein that converts auditory stimuli to length changes in outer hair cells and mediates sound amplification in the mammalian hearing organ. Prestin is a bidirectional voltage- to-force converter, it can operate at microsecond rates. It uses cytoplasmic anions as extrinsic voltage sensors, probably chloride and bicarbonate. After binding to a site with millimolar affinity, these anions are translocated across the membrane in response to changes in the transmembrane voltage. They move towards the extracellular surface following hyperpolarization, and towards the cytoplasmic side in response to depolarization. As a consequence, this translocation triggers conformational changes in the protein that ultimately alter its surface area in the plane of the plasma membrane. The area decreases when the anion is near the cytoplasmic face of the membrane (short state), and increases when the ion has crossed the membrane to the outer surface (long state). So, it acts as an incomplete transporter. It swings anions across the membrane, but does not allow these anions to dissociate and escape to the extracellular space. Salicylate, an inhibitor of outer hair cell motility, acts as competitive antagonist at the prestin anion-binding site
Gene Name:
SLC26A5
Uniprot ID:
P58743
Molecular weight:
81263.0

Only showing the first 10 proteins. There are 60 proteins in total.

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