Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-05-22 14:17:29 UTC |
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Update Date | 2021-04-29 21:02:53 UTC |
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HMDB ID | HMDB0001967 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Carbon dioxide |
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Description | Carbon 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. |
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Structure | |
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Synonyms | Value | Source |
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[CO2] | ChEBI | Carbonic anhydride | ChEBI | CO2 | ChEBI | e 290 | ChEBI | e-290 | ChEBI | e290 | ChEBI | R-744 | ChEBI | Carbon oxide | HMDB | Carbon-12 dioxide | HMDB | Carbonic acid anhydride | HMDB | Carbonic acid gas | HMDB | Anhydride, carbonic | HMDB | Dioxide, carbon | HMDB |
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Chemical Formula | CO2 |
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Average Molecular Weight | 44.0095 |
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Monoisotopic Molecular Weight | 43.989829244 |
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IUPAC Name | methanedione |
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Traditional Name | carbon dioxide |
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CAS Registry Number | 124-38-9 |
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SMILES | O=C=O |
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InChI Identifier | InChI=1S/CO2/c2-1-3 |
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InChI Key | CURLTUGMZLYLDI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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'. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous non-metal compounds |
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Class | Other non-metal organides |
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Sub Class | Other non-metal oxides |
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Direct Parent | Other non-metal oxides |
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Alternative Parents | |
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Substituents | - Other non-metal oxide
- Inorganic oxide
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Physiological effect
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Adverse health effect
Genetic disorder
Inborn errors of metabolism
-
2-ketoglutarate dehydrogenase complex deficiency
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3-methylglutaconic aciduria type i
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3-phosphoglycerate dehydrogenase deficiency
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Acute intermittent porphyria
(PMID:
10905759
, PMID:
10905759
, PMID:
18804642
, +3
More
)
-
Adenosine deaminase deficiency
-
Adenylosuccinate lyase deficiency
(PMID:
11805243
, PMID:
12535838
, PMID:
15571235
, +2
More
)
-
Alkaptonuria
(PMID:
25956497
)
-
Canavan disease
(PMID:
3818951
, PMID:
11307586
, PMID:
832430
, +51
More
)
-
Carnosinemia
-
Cholesteryl ester storage disease
(PMID:
23402469
, PMID:
32966057
, PMID:
11463495
, +20
More
)
-
Dihydropyrimidinase deficiency
(PMID:
17383919
)
-
Dimethylglycine dehydrogenase deficiency
-
Ethylmalonic encephalopathy
(PMID:
10731506
, PMID:
27012787
, PMID:
3571488
, +12
More
)
-
Fabry disease
-
Gaba-transaminase deficiency
-
Glycine n-methyltransferase deficiency
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Hawkinsinuria
(PMID:
10412819
, PMID:
11281457
, PMID:
11978597
, +3
More
)
-
Histidinemia
(PMID:
1146783
, PMID:
14044449
, PMID:
12297216
, +15
More
)
-
Krabbe disease
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Methionine adenosyltransferase deficiency
(PMID:
8745393
, PMID:
27207470
, PMID:
27294788
, +6
More
)
-
Methylmalonate semialdehyde dehydrogenase deficiency
(PMID:
3939535
, PMID:
3939535
)
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Myoadenylate deaminase deficiency
(PMID:
11978597
)
-
Phenylketonuria
(PMID:
24023812
, PMID:
6321058
, PMID:
20971021
, +55
More
)
-
Purine nucleoside phosphorylase deficiency
(PMID:
16139832
, PMID:
32966057
, PMID:
9663253
, +7
More
)
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Pyruvate dehydrogenase complex deficiency
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Ribose-5-phosphate isomerase deficiency
(PMID:
14988808
)
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Sarcosinemia
(PMID:
24341803
, PMID:
17436247
, PMID:
8739971
, +49
More
)
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Transaldolase deficiency
(PMID:
12881455
, PMID:
12881455
, PMID:
32966057
)
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Tyrosinemia
Nontypified gene mutations
Organic acidemia
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3-hydroxy-3-methylglutaryl-coa lyase deficiency
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3-hydroxyisobutyric aciduria
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Beta-ketothiolase deficiency
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Fumarase deficiency
(PMID:
24182348
, PMID:
24182348
, PMID:
26078636
, +28
More
)
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Isovaleric acidemia
(PMID:
2000815
, PMID:
9368807
, PMID:
14608088
, +33
More
)
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Malonyl-coa decarboxylase deficiency
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Maple syrup urine disease
(PMID:
24023812
, PMID:
6321058
, PMID:
20971021
, +59
More
)
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Mevalonic aciduria
(PMID:
8386351
)
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Propionic acidemia
(PMID:
24023812
, PMID:
6321058
, PMID:
20971021
, +65
More
)
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Succinic semialdehyde dehydrogenase deficiency
(PMID:
11978597
, PMID:
12127325
, PMID:
12127325
, +1
More
)
Urea cycle disorder
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Carnosinuria
(PMID:
24023812
, PMID:
2674258
, PMID:
32966057
)
Circulatory system disorder
Nervous system disorder
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Disposition
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Biological location
Source
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Process
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Naturally occurring process
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -56.5 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1.48 mg/mL at 25 °C | Not Available | LogP | 0.83 | HANSCH,C ET AL. (1995) |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
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DeepCCS | [M+H]+ | 114.994 | 30932474 | DeepCCS | [M-H]- | 113.187 | 30932474 | DeepCCS | [M-2H]- | 148.485 | 30932474 | DeepCCS | [M+Na]+ | 122.227 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Carbon dioxide | O=C=O | 775.9 | Standard polar | 33892256 | Carbon dioxide | O=C=O | 234.5 | Standard non polar | 33892256 | Carbon dioxide | O=C=O | 384.0 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Carbon dioxide EI-B (Non-derivatized) | splash10-0006-9000000000-ffb540455919d1e43969 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Carbon dioxide EI-B (Non-derivatized) | splash10-0006-9000000000-ffb540455919d1e43969 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-9000000000-9afc44eaa1fe34c4f458 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Carbon dioxide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0006-9000000000-e1cf88df1066f206d01f | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 10V, Negative-QTOF | splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 20V, Negative-QTOF | splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 40V, Negative-QTOF | splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 10V, Positive-QTOF | splash10-0006-9000000000-eb2207f7400e9144fff7 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 20V, Positive-QTOF | splash10-0006-9000000000-eb2207f7400e9144fff7 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 40V, Positive-QTOF | splash10-0006-9000000000-eb2207f7400e9144fff7 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 10V, Positive-QTOF | splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 20V, Positive-QTOF | splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon dioxide 40V, Positive-QTOF | splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7 | 2021-09-24 | Wishart Lab | View Spectrum |
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Disease References | Bartter Syndrome, Type 3 |
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- 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 |
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- 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 |
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- 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 |
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- 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 |
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- 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 ]
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