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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:29 UTC
Update Date2021-04-29 21:02:53 UTC
HMDB IDHMDB0001967
Secondary Accession Numbers
  • HMDB01967
Metabolite Identification
Common NameCarbon dioxide
DescriptionCarbon dioxide is a colorless, odorless gas that can be formed by the body and is necessary for the respiration cycle of plants and animals. Carbon dioxide is produced during respiration by all animals, fungi and microorganisms that depend on living and decaying plants for food, either directly or indirectly. It is, therefore, a major component of the carbon cycle. Additionally, carbon dioxide is used by plants during photosynthesis to make sugars which may either be consumed again in respiration or used as the raw material to produce polysaccharides such as starch and cellulose, proteins and the wide variety of other organic compounds required for plant growth and development. When inhaled at concentrations much higher than usual atmospheric levels, it can produce a sour taste in the mouth and a stinging sensation in the nose and throat. These effects result from the gas dissolving in the mucous membranes and saliva, forming a weak solution of carbonic acid. Carbon dioxide is used by the food industry, the oil industry, and the chemical industry. Carbon dioxide is used to produce carbonated soft drinks and soda water. Traditionally, the carbonation in beer and sparkling wine comes about through natural fermentation, but some manufacturers carbonate these drinks artificially.
Structure
Data?1582752220
Synonyms
ValueSource
[CO2]ChEBI
Carbonic anhydrideChEBI
CO2ChEBI
e 290ChEBI
e-290ChEBI
e290ChEBI
R-744ChEBI
Carbon oxideHMDB
Carbon-12 dioxideHMDB
Carbonic acid anhydrideHMDB
Carbonic acid gasHMDB
Anhydride, carbonicHMDB
Dioxide, carbonHMDB
Chemical FormulaCO2
Average Molecular Weight44.0095
Monoisotopic Molecular Weight43.989829244
IUPAC Namemethanedione
Traditional Namecarbon dioxide
CAS Registry Number124-38-9
SMILES
O=C=O
InChI Identifier
InChI=1S/CO2/c2-1-3
InChI KeyCURLTUGMZLYLDI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-56.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.48 mg/mL at 25 °CNot Available
LogP0.83HANSCH,C ET AL. (1995)
Experimental Spectral PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility186 g/LALOGPS
logP10(-0.63) g/LALOGPS
logP10(-0.28) g/LChemAxon
logS10(0.63) g/LALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.38 m³·mol⁻¹ChemAxon
Polarizability2.57 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Kovats Retention Indices

Not Available
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Carbon dioxide EI-B (Non-derivatized)splash10-0006-9000000000-ffb540455919d1e439692017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Carbon dioxide EI-B (Non-derivatized)splash10-0006-9000000000-ffb540455919d1e439692018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-9afc44eaa1fe34c4f4582016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9000000000-e1cf88df1066f206d01f2014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 10V, Negative-QTOFsplash10-0006-9000000000-b7e6c1e22f1f90c5a8e02015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 20V, Negative-QTOFsplash10-0006-9000000000-b7e6c1e22f1f90c5a8e02015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 40V, Negative-QTOFsplash10-0006-9000000000-b7e6c1e22f1f90c5a8e02015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 10V, Positive-QTOFsplash10-0006-9000000000-eb2207f7400e9144fff72015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 20V, Positive-QTOFsplash10-0006-9000000000-eb2207f7400e9144fff72015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 40V, Positive-QTOFsplash10-0006-9000000000-eb2207f7400e9144fff72015-05-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 10V, Positive-QTOFsplash10-0006-9000000000-a1e091bb1f5fa6e9cbc72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 20V, Positive-QTOFsplash10-0006-9000000000-a1e091bb1f5fa6e9cbc72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbon dioxide 40V, Positive-QTOFsplash10-0006-9000000000-a1e091bb1f5fa6e9cbc72021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
  • Nucleus
  • Endoplasmic reticulum
  • Golgi apparatus
  • Peroxisome
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified25600.0 +/- 1430.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified21000-31000 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified17000.00 (11100.0-21200.0) uMNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified5000-20000 uMNewborn (0 - <14 days old)Both
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified10000-24000 uMInfant (15 days - <1 year old)Both
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified14000-24000 uMChildren (1 - <5 years old)Both
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified17000-26000 uMChildren (5 - 15 years old)Both
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified17000-26000 uMAdolescent (15 - 19 years old)Female
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified18000-28000 uMAdolescent (15 - 19 years old)Male
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified18000-27000 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified24000-35000 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified18000-24000 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified20900.0 +/- 1100.0 uMChildren (1-13 years old)Not SpecifiedNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified21600.0 +/- 600.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified32000 (28000-36000) uMChildren (1-13 years old)Both
Bartter Syndrome, Type 3
details
BloodDetected and Quantified5000 uMInfant (0-1 year old)Female
Fructose-1,6-bisphosphatase deficiency
details
BloodDetected and Quantified16000 uMInfant (0-1 year old)FemaleLong-chain Fatty Acids, Defect in Transport of details
BloodDetected and Quantified24000 (18000-30000) uMChildren (1-13 years old)Not SpecifiedOculocerebrorenal Syndrome of Lowe details
BloodDetected and Quantified13000 uMChildren (1-13 years old)FemalePearson Syndrome details
Associated Disorders and Diseases
Disease References
Bartter Syndrome, Type 3
  1. Seys E, Andrini O, Keck M, Mansour-Hendili L, Courand PY, Simian C, Deschenes G, Kwon T, Bertholet-Thomas A, Bobrie G, Borde JS, Bourdat-Michel G, Decramer S, Cailliez M, Krug P, Cozette P, Delbet JD, Dubourg L, Chaveau D, Fila M, Jourde-Chiche N, Knebelmann B, Lavocat MP, Lemoine S, Djeddi D, Llanas B, Louillet F, Merieau E, Mileva M, Mota-Vieira L, Mousson C, Nobili F, Novo R, Roussey-Kesler G, Vrillon I, Walsh SB, Teulon J, Blanchard A, Vargas-Poussou R: Clinical and Genetic Spectrum of Bartter Syndrome Type 3. J Am Soc Nephrol. 2017 Aug;28(8):2540-2552. doi: 10.1681/ASN.2016101057. Epub 2017 Apr 5. [PubMed:28381550 ]
Fructose-1,6-diphosphatase deficiency
  1. Pagliara AS, Karl IE, Keating JP, Brown BI, Kipnis DM: Hepatic fructose-1,6-diphosphatase deficiency. A cause of lactic acidosis and hypoglycemia in infancy. J Clin Invest. 1972 Aug;51(8):2115-23. doi: 10.1172/JCI107018. [PubMed:4341015 ]
Long-chain Fatty Acids, Defect in Transport of
  1. Treem WR, Stanley CA, Finegold DN, Hale DE, Coates PM: Primary carnitine deficiency due to a failure of carnitine transport in kidney, muscle, and fibroblasts. N Engl J Med. 1988 Nov 17;319(20):1331-6. doi: 10.1056/NEJM198811173192006. [PubMed:3185635 ]
Oculocerebrorenal syndrome
  1. Charnas LR, Bernardini I, Rader D, Hoeg JM, Gahl WA: Clinical and laboratory findings in the oculocerebrorenal syndrome of Lowe, with special reference to growth and renal function. N Engl J Med. 1991 May 9;324(19):1318-25. doi: 10.1056/NEJM199105093241904. [PubMed:2017228 ]
Pearson Syndrome
  1. Crippa BL, Leon E, Calhoun A, Lowichik A, Pasquali M, Longo N: Biochemical abnormalities in Pearson syndrome. Am J Med Genet A. 2015 Mar;167A(3):621-8. doi: 10.1002/ajmg.a.36939. [PubMed:25691415 ]
Associated OMIM IDs
  • 607364 (Bartter Syndrome, Type 3)
  • 229700 (Fructose-1,6-diphosphatase deficiency)
  • 603376 (Long-chain Fatty Acids, Defect in Transport of)
  • 309000 (Oculocerebrorenal syndrome)
  • 557000 (Pearson Syndrome)
DrugBank IDDB09157
Phenol Explorer Compound IDNot Available
FooDB IDFDB014084
KNApSAcK IDNot Available
Chemspider ID274
KEGG Compound IDC00011
BioCyc IDCARBON-DIOXIDE
BiGG ID33506
Wikipedia LinkCarbon_dioxide
METLIN ID3199
PubChem Compound280
PDB IDNot Available
ChEBI ID16526
Food Biomarker OntologyNot Available
VMH IDCO2
MarkerDB IDMDB00013444
Good Scents IDNot Available
References
Synthesis ReferenceCallahan, Richard A. Process and apparatus for producing liquid carbon dioxide. U.S. (1993), Patent US5233837 (https://patents.google.com/patent/US5233837)
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Only showing the first 10 proteins. There are 107 proteins in total.

Enzymes

General function:
Involved in catalytic activity
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHB
Uniprot ID:
P11177
Molecular weight:
39233.1
Reactions
Pyruvic acid + Thiamine pyrophosphate → 2-(a-Hydroxyethyl)thiamine diphosphate + Carbon dioxidedetails
Pyruvic acid + Enzyme N6-(lipoyl)lysine → [Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine + Carbon dioxidedetails
General function:
Involved in malonyl-CoA decarboxylase activity
Specific function:
Catalyzes the conversion of malonyl-CoA to acetyl-CoA. In the fatty acid biosynthesis MCD selectively removes malonyl-CoA and thus assures that methyl-malonyl-CoA is the only chain elongating substrate for fatty acid synthase and that fatty acids with multiple methyl side chains are produced. In peroxisomes it may be involved in degrading intraperoxisomal malonyl-CoA, which is generated by the peroxisomal beta-oxidation of odd chain-length dicarboxylic fatty acids.
Gene Name:
MLYCD
Uniprot ID:
O95822
Molecular weight:
55002.94
Reactions
Malonyl-CoA → Acetyl-CoA + Carbon dioxidedetails
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS2
Uniprot ID:
P22557
Molecular weight:
64632.86
Reactions
Succinyl-CoA + Glycine → 5-Aminolevulinic acid + Coenzyme A + Carbon dioxidedetails
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS1
Uniprot ID:
P13196
Molecular weight:
70580.325
Reactions
Succinyl-CoA + Glycine → 5-Aminolevulinic acid + Coenzyme A + Carbon dioxidedetails
General function:
Involved in transferase activity
Specific function:
Fatty acid synthetase catalyzes the formation of long-chain fatty acids from acetyl-CoA, malonyl-CoA and NADPH. This multifunctional protein has 7 catalytic activities and an acyl carrier protein.
Gene Name:
FASN
Uniprot ID:
P49327
Molecular weight:
273424.06
Reactions
Acetyl-[acyl-carrier protein] + Malonyl-[acyl-carrier protein] → Acetoacetyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Dodecanoyl-[acyl-carrier protein] + Malonyl-[acyl-carrier protein] → 3-Oxotetradecanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Butyryl-[acp] + Malonyl-[acyl-carrier protein] → 3-Oxohexanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Hexanoyl-[acp] + Malonyl-[acyl-carrier protein] → 3-Oxooctanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Octanoyl-[acp] + Malonyl-[acyl-carrier protein] → 3-Oxodecanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Decanoyl-[acp] + Malonyl-[acyl-carrier protein] → 3-Oxododecanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
Tetradecanoyl-[acp] + Malonyl-[acyl-carrier protein] → 3-Oxohexadecanoyl-[acp] + Carbon dioxide + Acyl-carrier proteindetails
General function:
Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHA1
Uniprot ID:
P08559
Molecular weight:
43295.255
Reactions
Pyruvic acid + Thiamine pyrophosphate → 2-(a-Hydroxyethyl)thiamine diphosphate + Carbon dioxidedetails
Pyruvic acid + Enzyme N6-(lipoyl)lysine → [Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine + Carbon dioxidedetails
Coenzyme A + NAD + Pyruvic acid → Carbon dioxide + Hydrogen Ion + NADH + Acetyl-CoAdetails
General function:
Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHA2
Uniprot ID:
P29803
Molecular weight:
42932.855
Reactions
Pyruvic acid + Thiamine pyrophosphate → 2-(a-Hydroxyethyl)thiamine diphosphate + Carbon dioxidedetails
Pyruvic acid + Enzyme N6-(lipoyl)lysine → [Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine + Carbon dioxidedetails
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
Reactions
Malonic semialdehyde + Coenzyme A + NAD → Acetyl-CoA + Carbon dioxide + NADH + Hydrogen Iondetails
Malonic semialdehyde + Coenzyme A + NADP → Acetyl-CoA + Carbon dioxide + NADPH + Hydrogen Iondetails
(S)-Methylmalonic acid semialdehyde + Coenzyme A + NAD → Propionyl-CoA + Carbon dioxide + NADH + Hydrogen Iondetails
General function:
Involved in oxidoreductase activity
Specific function:
Lipoamide dehydrogenase is a component of the glycine cleavage system as well as of the alpha-ketoacid dehydrogenase complexes. Involved in the hyperactivation of spermatazoa during capacitation and in the spermatazoal acrosome reaction.
Gene Name:
DLD
Uniprot ID:
P09622
Molecular weight:
54176.91
Reactions
Coenzyme A + NAD + Pyruvic acid → Carbon dioxide + Hydrogen Ion + NADH + Acetyl-CoAdetails
General function:
Involved in acyltransferase activity
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
DLAT
Uniprot ID:
P10515
Molecular weight:
68996.03
Reactions
Coenzyme A + NAD + Pyruvic acid → Carbon dioxide + Hydrogen Ion + NADH + Acetyl-CoAdetails

Only showing the first 10 proteins. There are 107 proteins in total.