Carbonic acid (ECMDB03538) (M2MDB000510)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes (10)XML
Proteins (545)
Record Information
Version2.0
Creation Date2012-05-31 13:59:35 -0600
Update Date2015-09-13 12:56:13 -0600
Secondary Accession Numbers
  • ECMDB03538
Identification
Name:Carbonic acid
DescriptionCarbonic acid (ancient name acid of air or aerial acid) is the only inorganic carbon acid, and has the formula H2CO3. It is also a name sometimes given to solutions of carbon dioxide in water, which contain small amounts of H2CO3. The salts of carbonic acids are called bicarbonates (or hydrogencarbonates) and carbonates. (wikipedia)
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Acid of air
  • Aerial acid
  • Bisodium carbonate
  • Bisodium carbonic acid
  • Calcined
  • Carbonate
  • Carbonate sodium salt
  • Carbonic acid sodium salt
  • Consal
  • Crystol carbonate
  • Crystol carbonic acid
  • Dihydrogen carbonate
  • Dihydrogen carbonic acid
  • Disodium carbonate
  • Disodium carbonic acid
  • H2CO3
  • H2CO3
  • Mild alkali
  • Na-X
  • Oxyper
  • Sal soda
  • Salt of soda
  • Scotch soda
  • Soda
  • Soda ash
  • Sodium carbonate
  • Sodium carbonate anhydrous
  • Sodium carbonate hydrated
  • Sodium carbonate peroxyhydrate
  • Sodium carbonic acid
  • Sodium carbonic acid anhydrous
  • Sodium carbonic acid hydrated
  • Sodium carbonic acid peroxyhydrate
  • Sodium carbonic acid peroxyhydric acid
  • Solvay soda
  • Trona soda ash
  • Tronalight light soda ash
Chemical Formula:CH2O3
Weight:Average: 62.0248
Monoisotopic: 62.00039393
InChI Key:BVKZGUZCCUSVTD-UHFFFAOYSA-N
InChI:InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
CAS number:463-79-6
IUPAC Name:carbonic acid
Traditional IUPAC Name:carbonic acid
SMILES:OC(O)=O
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
Physical Properties
State:Solid
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility231 g/LALOGPS
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Carbonic acid <> Carbon dioxide + Water
Adenosine triphosphate + Acetyl-CoA + Carbonic acid > ADP + Inorganic phosphate + Malonyl-CoA
Carbonic acid > Carbon dioxide + Water
Inorganic phosphate + Oxalacetic acid > Water + Phosphoenolpyruvic acid + Carbonic acid
2 Adenosine triphosphate + L-Glutamine + Carbonic acid + Water >2 ADP + Inorganic phosphate + L-Glutamate + Carbamoylphosphate
Cyanate + Carbonic acid + 2 Hydrogen ion > Ammonia +2 Carbon dioxide
Adenosine triphosphate + 5-Aminoimidazole ribonucleotide + Carbonic acid > ADP + Inorganic phosphate + 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
Carbonic acid <> Carbon dioxide + Water
SMPDB Pathways:
Nitrogen metabolismPW000755 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
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 GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, PositiveNot AvailableView in JSpectraViewer
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
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-65a6c4ac46a60ccd0a02View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-75ba60e3edf4ccfcfbe0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-a1e091bb1f5fa6e9cbc7View in MoNA
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
References
References:
  • Antonijevic N, Terzic T, Jovanovic V, Suvajdzic N, Milosevic R, Basara N, Elezovic I: [Acquired amegakaryocytic thrombocytopenia: three case reports and a literature review] Med Pregl. 2004 May-Jun;57(5-6):292-7. Pubmed: 15503803
  • Bartsch I, Zschaler I, Haseloff M, Steinberg P: Establishment of a long-term culture system for rat colon epithelial cells. In Vitro Cell Dev Biol Anim. 2004 Sep-Oct;40(8-9):278-84. Pubmed: 15723563
  • Bomhard EM, Brendler-Schwaab SY, Freyberger A, Herbold BA, Leser KH, Richter M: O-phenylphenol and its sodium and potassium salts: a toxicological assessment. Crit Rev Toxicol. 2002;32(6):551-625. Pubmed: 12487365
  • Chang TC: Influence of lithium carbonate on the thyrotropin receptor in vitro. Taiwan Yi Xue Hui Za Zhi. 1989 Jan;88(1):13-7. Pubmed: 2547015
  • DiGiovanna JJ, Aoyagi T, Taylor JR, Halprin KM: Inhibition of epidermal adenyl cyclase by lithium carbonate. J Invest Dermatol. 1981 Apr;76(4):259-63. Pubmed: 6259263
  • Faravelli C, Di Bernardo M, Ricca V, Benvenuti P, Bartelli M, Ronchi O: Effects of chronic lithium treatment on the peripheral nervous system. J Clin Psychiatry. 1999 May;60(5):306-10. Pubmed: 10362438
  • Gross E, Fedotoff O, Pushkin A, Abuladze N, Newman D, Kurtz I: Phosphorylation-induced modulation of pNBC1 function: distinct roles for the amino- and carboxy-termini. J Physiol. 2003 Jun 15;549(Pt 3):673-82. Epub 2003 May 2. Pubmed: 12730338
  • 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
  • Kristensen JM, Kristensen M, Juel C: Expression of Na+/HCO3- co-transporter proteins (NBCs) in rat and human skeletal muscle. Acta Physiol Scand. 2004 Sep;182(1):69-76. Pubmed: 15329059
  • Loiselle FB, Jaschke P, Casey JR: Structural and functional characterization of the human NBC3 sodium/bicarbonate co-transporter carboxyl-terminal cytoplasmic domain. Mol Membr Biol. 2003 Oct-Dec;20(4):307-17. Pubmed: 14578046
  • Matousek P, Novotny J, Rudajev V, Svoboda P: Prolonged agonist stimulation does not alter the protein composition of membrane domains in spite of dramatic changes induced in a specific signaling cascade. Cell Biochem Biophys. 2005;42(1):21-40. Pubmed: 15673926
  • Perrild H, Hegedus L, Arnung K: Sex related goitrogenic effect of lithium carbonate in healthy young subjects. Acta Endocrinol (Copenh). 1984 Jun;106(2):203-8. Pubmed: 6428121
  • Sack DA, Sack RB, Nair GB, Siddique AK: Cholera. Lancet. 2004 Jan 17;363(9404):223-33. Pubmed: 14738797
  • Sepai O, Anderson D, Street B, Bird I, Farmer PB, Bailey E: Monitoring of exposure to styrene oxide by GC-MS analysis of phenylhydroxyethyl esters in hemoglobin. Arch Toxicol. 1993;67(1):28-33. Pubmed: 8452476
  • Severina IS, Pyatakova NV, Shchegolev AY, Ponomarev GV: YC-1-like potentiation of NO-dependent activation of soluble guanylate cyclase by derivatives of protoporphyrin IX. Biochemistry (Mosc). 2006 Mar;71(3):340-4. Pubmed: 16545073
  • Siegel L, Walker SI, Robin NI: Total hydrolyzable glycerol in amniotic fluid, and its relationship to fetal lung maturity. Clin Chem. 1984 Sep;30(9):1546-8. Pubmed: 6467568
  • Thakur SC, Thakur SS, Chaube SK, Singh SP: Subchronic supplementation of lithium carbonate induces reproductive system toxicity in male rat. Reprod Toxicol. 2003 Nov-Dec;17(6):683-90. Pubmed: 14613820
  • 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
  • Xu W, Yoon SI, Huang P, Wang Y, Chen C, Chong PL, Liu-Chen LY: Localization of the kappa opioid receptor in lipid rafts. J Pharmacol Exp Ther. 2006 Jun;317(3):1295-306. Epub 2006 Feb 27. Pubmed: 16505160
Synthesis Reference:Govdyak, R. M. Liquid carbonic acid production at gas industry facilities. Ekotekhnologii i Resursosberezhenie (2005), (3), 41-48.
Material Safety Data Sheet (MSDS)Download (PDF)
External Links:
ResourceLink
CHEBI ID28976
HMDB IDHMDB03538
Pubchem Compound ID767
Kegg IDC01353
ChemSpider ID747
WikipediaCarbonic acid
BioCyc IDH2CO3
EcoCyc IDH2CO3
Ligand ExpoCO3

Enzymes

Protein Details
1. Cyanate hydratase
General function:
Involved in cyanate hydratase activity
Specific function:
Catalyzes the reaction of cyanate with bicarbonate to produce ammonia and carbon dioxide
Gene Name:
cynS
Uniprot ID:
P00816
Molecular weight:
17049
Reactions
Cyanate + HCO(3)(-) + 2 H(+) = NH(3) + 2 CO(2).
Protein Details
2. Phosphoenolpyruvate carboxylase
General function:
Involved in phosphoenolpyruvate carboxylase activity
Specific function:
Through the carboxylation of phosphoenolpyruvate (PEP) it forms oxaloacetate, a four-carbon dicarboxylic acid source for the tricarboxylic acid cycle
Gene Name:
ppc
Uniprot ID:
P00864
Molecular weight:
99062
Reactions
Phosphate + oxaloacetate = H(2)O + phosphoenolpyruvate + HCO(3)(-).
Protein Details
3. Carbamoyl-phosphate synthase large chain
General function:
Involved in ATP binding
Specific function:
2 ATP + L-glutamine + HCO(3)(-) + H(2)O = 2 ADP + phosphate + L-glutamate + carbamoyl phosphate
Gene Name:
carB
Uniprot ID:
P00968
Molecular weight:
117841
Reactions
2 ATP + L-glutamine + HCO(3)(-) + H(2)O = 2 ADP + phosphate + L-glutamate + carbamoyl phosphate.
Protein Details
4. Phosphoribosylaminoimidazole carboxylase ATPase subunit
General function:
Involved in phosphoribosylaminoimidazole carboxylase activity
Specific function:
Possesses an ATPase activity that is dependent on the presence of AIR (aminoimidazole ribonucleotide). The association of purK and purE produces an enzyme complex capable of converting AIR to CAIR efficiently under physiological condition
Gene Name:
purK
Uniprot ID:
P09029
Molecular weight:
39461
Reactions
ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole + HCO(3)(-) = ADP + phosphate + 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole.
Protein Details
5. Carbamoyl-phosphate synthase small chain
General function:
Involved in glutamine catabolic process
Specific function:
2 ATP + L-glutamine + HCO(3)(-) + H(2)O = 2 ADP + phosphate + L-glutamate + carbamoyl phosphate
Gene Name:
carA
Uniprot ID:
P0A6F1
Molecular weight:
41431
Reactions
2 ATP + L-glutamine + HCO(3)(-) + H(2)O = 2 ADP + phosphate + L-glutamate + carbamoyl phosphate.
Protein Details
6. Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Controls translation of mRNA for both itself and the alpha-subunit (accA) by binding to a probable hairpin in the 5' of the mRNA. Binding to mRNA inhibits translation; this is partially relieved by acetyl-CoA. Increasing amounts of mRNA also inhibit enzyme activity
Gene Name:
accD
Uniprot ID:
P0A9Q5
Molecular weight:
33322
Reactions
ATP + acetyl-CoA + HCO(3)(-) = ADP + phosphate + malonyl-CoA.
Protein Details
7. Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Component of the acetyl coenzyme A carboxylase (ACC) complex. First, biotin carboxylase catalyzes the carboxylation of biotin on its carrier protein (BCCP) and then the CO(2) group is transferred by the carboxyltransferase to acetyl-CoA to form malonyl-CoA
Gene Name:
accA
Uniprot ID:
P0ABD5
Molecular weight:
35241
Reactions
ATP + acetyl-CoA + HCO(3)(-) = ADP + phosphate + malonyl-CoA.
Protein Details
8. Carbonic anhydrase 1
General function:
Involved in carbonate dehydratase activity
Specific function:
Reversible hydration of carbon dioxide. Carbon dioxide formed in the bicarbonate-dependent decomposition of cyanate by cyanase (cynS) diffuses out of the cell faster than it would be hydrated to bicarbonate, so the apparent function of this enzyme is to catalyze the hydration of carbon dioxide and thus prevent depletion of cellular bicarbonate
Gene Name:
cynT
Uniprot ID:
P0ABE9
Molecular weight:
23764
Reactions
H(2)CO(3) = CO(2) + H(2)O.
Protein Details
9. Biotin carboxylase
General function:
Involved in ligase activity
Specific function:
This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA
Gene Name:
accC
Uniprot ID:
P24182
Molecular weight:
49320
Reactions
ATP + biotin-[carboxyl-carrier-protein] + CO(2) = ADP + phosphate + carboxy-biotin-[carboxyl-carrier-protein].
ATP + acetyl-CoA + HCO(3)(-) = ADP + phosphate + malonyl-CoA.
Protein Details
10. Carbonic anhydrase 2
General function:
Involved in carbonate dehydratase activity
Specific function:
H(2)CO(3) = CO(2) + H(2)O
Gene Name:
can
Uniprot ID:
P61517
Molecular weight:
25097
Reactions
H(2)CO(3) = CO(2) + H(2)O.