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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:29 UTC
Update Date2017-12-26 21:12:11 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
Thumb
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, carbonicMeSH
Dioxide, carbonMeSH
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
DescriptionThis compound belongs to the class of chemical entities 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'.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassOther non-metal organides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Biological Location:

  Subcellular:

  Biofluid and excreta:

  Organ and components:

  Cell and elements:

Source:

Route of exposure:

  Parenteral:

Process

Naturally occurring process:

  Biological process:

    Biochemical pathway:

Role

Biological role:

  Molecular messenger:

Industrial application:

  Pharmaceutical industry:

Indirect biological role:

Physiological effect

Health effect:

  Observation:

  Health condition:

    Nervous system disorders:

Physical Properties
StateLiquid
Experimental 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)
Predicted Properties
PropertyValueSource
Water Solubility186 g/LALOGPS
logP-0.63ALOGPS
logP-0.28ChemAxon
logS0.63ALOGPS
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0006-9000000000-ffb540455919d1e43969View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-9afc44eaa1fe34c4f458View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
MSMass Spectrum (Electron Ionization)splash10-0006-9000000000-e1cf88df1066f206d01fView in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
  • Nucleus
  • Endoplasmic reticulum
  • Golgi apparatus
  • Peroxisome
Biofluid Locations
  • Blood
  • Urine
Tissue Location
  • Kidney
  • Liver
Pathways
NameSMPDB/PathwhizKEGG
2-Hydroxyglutric Aciduria (D And L Form)Pw000212Pw000212 greyscalePw000212 simpleNot Available
2-Methyl-3-Hydroxybutryl CoA Dehydrogenase DeficiencyPw000061Pw000061 greyscalePw000061 simpleNot Available
2-aminoadipic 2-oxoadipic aciduriaPw000696Pw000696 greyscalePw000696 simpleNot Available
2-ketoglutarate dehydrogenase complex deficiencyPw000525Pw000525 greyscalePw000525 simpleNot Available
3-Hydroxy-3-Methylglutaryl-CoA Lyase DeficiencyPw000063Pw000063 greyscalePw000063 simpleNot Available
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
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 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 Quantified Not AvailableNot AvailableNormal
    details
    Abnormal Concentrations
    Not Available
    Associated Disorders and Diseases
    Disease ReferencesNone
    Associated OMIM IDsNone
    DrugBank IDDB09157
    Phenol Explorer Compound IDNot Available
    FoodDB IDFDB014084
    KNApSAcK IDNot Available
    Chemspider ID274
    KEGG Compound IDC00011
    BioCyc IDCARBON-DIOXIDE
    BiGG ID33506
    Wikipedia LinkCarbon_dioxide
    METLIN ID3199
    PubChem Compound280
    PDB IDCO2
    ChEBI ID16526
    References
    Synthesis ReferenceCallahan, Richard A. Process and apparatus for producing liquid carbon dioxide. U.S. (1993), 11 pp.
    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.