You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Bovine Metabolome Database.
Record Information
Version1.0
Creation Date2016-09-30 22:33:19 UTC
Update Date2020-06-04 20:36:49 UTC
BMDB IDBMDB0000595
Secondary Accession Numbers
  • BMDB00595
Metabolite Identification
Common NameHydrogen carbonate
DescriptionHydrogen carbonate, also known as bisodium carbonate or sal soda, belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group. Hydrogen carbonate is a very weakly acidic compound (based on its pKa). Hydrogen carbonate exists in all living species, ranging from bacteria to humans. Hydrogen carbonate, with regard to humans, has been found to be associated with several diseases such as renal tubular acidosis, distal, rta type 1, fanconi bickel syndrome, bartter syndrome, type 2, antenatal, and bartter syndrome, type 5, antenatal, transient; hydrogen carbonate has also been linked to the inborn metabolic disorder 2-ketoglutarate dehydrogenase complex deficiency.
Structure
Thumb
Synonyms
ValueSource
[CO(OH)2]ChEBI
Dihydrogen carbonateChEBI
H2CO3ChEBI
KoehlensaeureChEBI
Dihydrogen carbonic acidGenerator
Hydrogen carbonic acidGenerator
CarbonateHMDB
Acid OF airHMDB
Aerial acidHMDB
Bisodium carbonateHMDB
CalcinedHMDB
Carbonic acid sodium saltHMDB
ConsalHMDB
Crystol carbonateHMDB
Disodium carbonateHMDB
Mild alkaliHMDB
Na-XHMDB
OxyperHMDB
Sal sodaHMDB
Salt OF sodaHMDB
Scotch sodaHMDB
SodaHMDB
Soda ashHMDB
Sodium carbonateHMDB
Sodium carbonate anhydrousHMDB
Sodium carbonate hydratedHMDB
Sodium carbonate peroxyhydrateHMDB
Solvay sodaHMDB
Trona soda ashHMDB
Tronalight light soda ashHMDB
Acid, carbonicHMDB
Carbonic acidHMDB
Ions, bicarbonateMeSH
Carbonate, hydrogenMeSH
Carbonates, hydrogenMeSH
Bicarbonate ionMeSH
Hydrogen carbonatesMeSH
BicarbonatesMeSH
Bicarbonate ionsMeSH
Carbonic acid ionsMeSH
Ions, carbonic acidMeSH
Chemical FormulaCH2O3
Average Molecular Weight62.0248
Monoisotopic Molecular Weight62.00039393
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
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
  • 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
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
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-310dbbc64fba7d9c667eView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-00du-9300000000-b9ab1da5629a3dfff55fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-53429210d3161a8e792fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-65bbb10c2768f3746b62View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-b6afca3e3ac002546879View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-0ef3797aeb5276c64c90View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-5b50453541e6f14e35beView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-5b50453541e6f14e35beView in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Mitochondria
Biospecimen Locations
  • Blood
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified24400 +/- 260 uMNot SpecifiedBothNormal details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000595
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB 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
Synthesis ReferenceNakajima, Fumiaki; Arima, Toshikazu; Kikuchi, Shintaro; Hirano, Hachiro. Production of alkaline hydrogen carbonate. Jpn. Kokai Tokkyo Koho (2005), 15 pp.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Defense mechanisms
Specific function:
Epithelial ion channel that plays an important role in the regulation of epithelial ion and water transport and fluid homeostasis. Mediates the transport of chloride ions across the cell membrane (By similarity). Channel activity is coupled to ATP hydrolysis. The ion channel is also permeable to HCO(3-); selectivity depends on the extracellular chloride concentration. Exerts its function also by modulating the activity of other ion channels and transporters. Contributes to the regulation of the pH and the ion content of the epithelial fluid layer. Modulates the activity of the epithelial sodium channel (ENaC) complex, in part by regulating the cell surface expression of the ENaC complex. May regulate bicarbonate secretion and salvage in epithelial cells by regulating the transporter SLC4A7. Can inhibit the chloride channel activity of ANO1 (By similarity). Plays a role in the chloride and bicarbonate homeostasis during sperm epididymal maturation and capacitation (By similarity).
Gene Name:
CFTR
Uniprot ID:
P35071
Molecular weight:
167758.0
General function:
Lipid transport and metabolism
Specific function:
Cytosolic enzyme that catalyzes the carboxylation of acetyl-CoA to malonyl-CoA, the first and rate-limiting step of de novo fatty acid biosynthesis. This is a 2 steps reaction starting with the ATP-dependent carboxylation of the biotin carried by the biotin carboxyl carrier (BCC) domain followed by the transfer of the carboxyl group from carboxylated biotin to acetyl-CoA.
Gene Name:
ACACA
Uniprot ID:
Q9TTS3
Molecular weight:
265303.0
Reactions
Adenosine triphosphate + Hydrogen carbonate + Acetyl-CoA → Hydrogen phosphate + ADP + Malonyl-CoAdetails
General function:
Involved in ATP binding
Specific function:
This is one of the 2 subunits of the biotin-dependent propionyl-CoA carboxylase (PCC), a mitochondrial enzyme involved in the catabolism of odd chain fatty acids, branched-chain amino acids isoleucine, threonine, methionine, and valine and other metabolites. Propionyl-CoA carboxylase catalyzes the carboxylation of propionyl-CoA/propanoyl-CoA to D-methylmalonyl-CoA/(S)-methylmalonyl-CoA (By similarity). Within the holoenzyme, the alpha subunit catalyzes the ATP-dependent carboxylation of the biotin carried by the biotin carboxyl carrier (BCC) domain, while the beta subunit then transfers the carboxyl group from carboxylated biotin to propionyl-CoA (By similarity). Propionyl-CoA carboxylase also significantly acts on butyryl-CoA/butanoyl-CoA, which is converted to ethylmalonyl-CoA/(2S)-ethylmalonyl-CoA (By similarity). Other alternative minor substrates include (2E)-butenoyl-CoA/crotonoyl-CoA (By similarity).
Gene Name:
PCCB
Uniprot ID:
Q2TBR0
Molecular weight:
58311.0
Reactions
3-Methylcrotonyl-CoA + Adenosine triphosphate + Hydrogen carbonate → 3-Methylglutaconyl-CoA + ADPdetails
Propionyl-CoA + Adenosine triphosphate + Hydrogen carbonate → S-Methylmalonyl-CoA + ADP + Hydrogen phosphatedetails
Propionyl-CoA + Hydrogen carbonate + Adenosine triphosphate → S-Methylmalonyl-CoA + ADP + Hydrogendetails
General function:
Energy production and conversion
Specific function:
Plays a role in valine and pyrimidine metabolism. Binds fatty acyl-CoA.
Gene Name:
ALDH6A1
Uniprot ID:
Q07536
Molecular weight:
58063.0
Reactions
(S)-Methylmalonic acid semialdehyde + Water + NAD + Coenzyme A → Propionyl-CoA + NADH + Hydrogen carbonatedetails
General function:
Involved in ATP binding
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 (By similarity).
Gene Name:
PC
Uniprot ID:
Q29RK2
Molecular weight:
129698.0
Reactions
Adenosine triphosphate + Pyruvic acid + Hydrogen carbonate → ADP + Hydrogen phosphate + Oxalacetic aciddetails
3-Methylcrotonyl-CoA + Adenosine triphosphate + Hydrogen carbonate → 3-Methylglutaconyl-CoA + ADPdetails
Propionyl-CoA + Adenosine triphosphate + Hydrogen carbonate → S-Methylmalonyl-CoA + ADP + Hydrogen phosphatedetails
Propionyl-CoA + Hydrogen carbonate + Adenosine triphosphate → S-Methylmalonyl-CoA + ADP + Hydrogendetails
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
SLC26A6
Uniprot ID:
Q08DQ8
Molecular weight:
83332.0
General function:
Involved in ferric iron binding
Specific function:
Transferrins are iron binding transport proteins which can bind two Fe(3+) ions in association with the binding of an anion, usually bicarbonate. It is responsible for the transport of iron from sites of absorption and heme degradation to those of storage and utilization. Serum transferrin may also have a further role in stimulating cell proliferation.
Gene Name:
TF
Uniprot ID:
Q29443
Molecular weight:
77753.0
General function:
Involved in sugar binding
Specific function:
Might act as an inhibitor of spontaneous calcium carbonate precipitation.
Gene Name:
PTP
Uniprot ID:
P23132
Molecular weight:
19334.0
General function:
Involved in inorganic anion exchanger activity
Specific function:
Not Available
Gene Name:
SLC4A4
Uniprot ID:
B2NIZ2
Molecular weight:
121375.0
General function:
Not Available
Specific function:
Not Available
Gene Name:
CAD
Uniprot ID:
F1MVC0
Molecular weight:
243038.0
Reactions
2 Adenosine triphosphate + L-Glutamine + Hydrogen carbonate + Water →2 ADP + Hydrogen phosphate + L-Glutamic acid + Carbamoylphosphatedetails
L-Glutamine + 2 Adenosine triphosphate + Water + Hydrogen carbonate → Carbamoylphosphate +2 ADP + Hydrogen phosphatedetails