Carbonic acid (PAMDB000510)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB000510
Identification
Name: Carbonic acid
Description:Carbonic 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
🔍MOLSDFPDBSMILESInChIView Structure
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
Average Molecular Weight: 62.0248
Monoisotopic Molecular Weight: 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
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct Parent Dicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Dicarboxylic acid or derivatives
  • Carbonic acid derivative
  • Carbonic_acid
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility231.0 mg/mLALOGPS
logP0.6ALOGPS
logP0.25ChemAxon
logS0.57ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.5 m3·mol-1ChemAxon
Polarizability4.23 Å3ChemAxon
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
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
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MSNot Available
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
References
References:
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  • 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