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Carbonic acid (YMDB00382)

Identification
YMDB IDYMDB00382
NameCarbonic acid
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
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. Hydrogen carbonate exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Hydrogen carbonate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • Acid carbonate
  • Aerial acid
  • Bicarbonate
  • BICARBONATE ION
  • Bisodium carbonate
  • Calcined
  • Carbonic acid sodium salt
  • Consal
  • Crystol carbonate
  • Dihydrogen carbonate
  • Disodium carbonate
  • Hydrogencarbonate
  • Oxyper
  • Sal soda
  • Salt of soda
  • Scotch soda
  • Soda
  • Soda ash
  • Sodium carbonate
  • Sodium carbonate anhydrous
  • Sodium carbonate hydrated
  • Sodium carbonate peroxyhydrate
  • Solvay soda
  • [CO(OH)2]
  • H2CO3
  • Koehlensaeure
  • Dihydrogen carbonic acid
  • Hydrogen carbonic acid
  • Carbonate
  • Acid OF air
  • Mild alkali
  • Na-X
  • Trona soda ash
  • Tronalight light soda ash
  • Acid, carbonic
  • Carbonic acid
  • Ions, bicarbonate
  • Carbonate, hydrogen
  • Carbonates, hydrogen
  • Hydrogen carbonates
  • Bicarbonates
  • Bicarbonate ions
  • Carbonic acid ions
  • Ions, carbonic acid
CAS number463-79-6
WeightAverage: 62.0248
Monoisotopic: 62.00039393
InChI KeyBVKZGUZCCUSVTD-UHFFFAOYSA-N
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
IUPAC Namecarbonic acid
Traditional IUPAC Namecarbonic acid
Chemical FormulaCH2O3
SMILESOC(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
StateSolid
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
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
  • extracellular
  • mitochondrion
  • peroxisome
  • nucleus
  • cytoplasm
Organoleptic PropertiesNot Available
SMPDB Pathways
Nitrogen metabolismPW002504 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Nitrogen metabolismec00910 Map00910
SMPDB ReactionsNot Available
KEGG Reactions
Carbonic acid + Adenosine triphosphate + Acetyl-CoA ↔ phosphate + malonyl-CoA + hydron + ADP
Carbon dioxide + water ↔ Carbonic acid + hydron
Carbonic acid + Adenosine triphosphate + water + L-Glutamine → phosphate + L-Glutamic acid + hydron + Carbamoylphosphate + ADP
Pyruvic acid + Carbonic acid + Adenosine triphosphate → phosphate + hydron + Oxalacetic acid + ADP
Carbonic acid + Adenosine triphosphate + Urea ↔ phosphate + hydron + ADP + urea-1-carboxylic acid
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-310dbbc64fba7d9c667eJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-00du-9300000000-b9ab1da5629a3dfff55fJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-53429210d3161a8e792fJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-65bbb10c2768f3746b62JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-b6afca3e3ac002546879JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-0ef3797aeb5276c64c90JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-5b50453541e6f14e35beJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-5b50453541e6f14e35beJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-3142be69389832d3eb4bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-65a6c4ac46a60ccd0a02JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-75ba60e3edf4ccfcfbe0JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-a1e091bb1f5fa6e9cbc7JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
References
References:
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
  • Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
  • Hoja, U., Marthol, S., Hofmann, J., Stegner, S., Schulz, R., Meier, S., Greiner, E., Schweizer, E. (2004). "HFA1 encoding an organelle-specific acetyl-CoA carboxylase controls mitochondrial fatty acid synthesis in Saccharomyces cerevisiae." J Biol Chem 279:21779-21786.14761959
Synthesis Reference:Govdyak, R. M. Liquid carbonic acid production at gas industry facilities. Ekotekhnologii i Resursosberezhenie (2005), (3), 41-48.
External Links:
ResourceLink
CHEBI ID17544
HMDB IDHMDB03538
Pubchem Compound ID767
Kegg IDC01353
ChemSpider ID747
FOODB IDFDB023191
WikipediaCarbonic_acid
BioCyc IDCARBON-DIOXIDE

Enzymes

Protein Details
1. Carbamoyl-phosphate synthase arginine-specific small chain
General function:
Involved in catalytic activity
Specific function:
2 ATP + L-glutamine + HCO(3)(-) + H(2)O = 2 ADP + phosphate + L-glutamate + carbamoyl phosphate
Gene Name:
CPA1
Uniprot ID:
P07258
Molecular weight:
45361.19922
Reactions
2 ATP + L-glutamine + HCO(3)(-) + H(2)O → 2 ADP + phosphate + L-glutamate + carbamoyl phosphate.
Protein Details
2. Protein URA1
General function:
Involved in carboxyl- or carbamoyltransferase activity
Specific function:
This protein is a "fusion" protein encoding three enzymatic activities of the pyrimidine pathway (GATase, CPSase, and ATCase)
Gene Name:
URA2
Uniprot ID:
P07259
Molecular weight:
245124.0
Reactions
2 ATP + L-glutamine + HCO(3)(-) + H(2)O → 2 ADP + phosphate + L-glutamate + carbamoyl phosphate.
Carbamoyl phosphate + L-aspartate → phosphate + N-carbamoyl-L-aspartate.
Protein Details
3. Carbamoyl-phosphate synthase arginine-specific 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:
CPA2
Uniprot ID:
P03965
Molecular weight:
123914.0
Reactions
2 ATP + L-glutamine + HCO(3)(-) + H(2)O → 2 ADP + phosphate + L-glutamate + carbamoyl phosphate.
Protein Details
4. Urea amidolyase
General function:
Involved in carbon-nitrogen ligase activity, with glutamine as amido-N-donor
Specific function:
Hydrolysis of urea to ammonia and CO(2)
Gene Name:
DUR1
Uniprot ID:
P32528
Molecular weight:
201830.0
Reactions
ATP + urea + HCO(3)(-) → ADP + phosphate + urea-1-carboxylate.
Urea-1-carboxylate + H(2)O → 2 CO(2) + 2 NH(3).
Protein Details
5. Acetyl-CoA carboxylase, mitochondrial
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Catalyzes the rate-limiting reaction in the mitochondrial fatty acid synthesis (FAS) type II pathway. Responsible for the production of the mitochondrial malonyl-CoA, used for the biosynthesis of the cofactor lipoic acid. This protein carries three functions:biotin carboxyl carrier protein, biotin carboxylase, and carboxyltransferase
Gene Name:
HFA1
Uniprot ID:
P32874
Molecular weight:
259161.0
Reactions
ATP + acetyl-CoA + HCO(3)(-) → ADP + phosphate + malonyl-CoA.
ATP + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + phosphate + carboxy-biotin-[carboxyl-carrier-protein].
Protein Details
6. Pyruvate carboxylase 1
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
Gene Name:
PYC1
Uniprot ID:
P11154
Molecular weight:
130098.0
Reactions
ATP + pyruvate + HCO(3)(-) → ADP + phosphate + oxaloacetate.
Protein Details
7. Acetyl-CoA carboxylase
General function:
Involved in acetyl-CoA carboxylase activity
Specific function:
Carries out three functions:biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase
Gene Name:
FAS3
Uniprot ID:
Q00955
Molecular weight:
250351.0
Reactions
ATP + acetyl-CoA + HCO(3)(-) → ADP + phosphate + malonyl-CoA.
ATP + biotin-[carboxyl-carrier-protein] + CO(2) → ADP + phosphate + carboxy-biotin-[carboxyl-carrier-protein].
Protein Details
8. Pyruvate carboxylase 2
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
Gene Name:
PYC2
Uniprot ID:
P32327
Molecular weight:
130166.0
Reactions
ATP + pyruvate + HCO(3)(-) → ADP + phosphate + oxaloacetate.
Protein Details
9. Carbonic anhydrase
General function:
Involved in carbonate dehydratase activity
Specific function:
Catalyzes the reversible hydration of CO(2) to H(2)CO(3). The main role may be to provide inorganic carbon for the bicarbonate-dependent carboxylation reactions catalyzed by pyruvate carboxylase, acetyl-CoA carboxylase and carbamoyl- phosphate synthetase. Involved in protection against oxidative damage. Encodes a substrate for the non-classical protein export pathway for proteins that lack a cleavable signal sequence
Gene Name:
NCE103
Uniprot ID:
P53615
Molecular weight:
24859.0
Reactions
H(2)CO(3) → CO(2) + H(2)O.