Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-08-16 13:51:54 UTC |
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Update Date | 2020-02-26 21:23:15 UTC |
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HMDB ID | HMDB0001361 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Carbon monoxide |
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Description | Carbon monoxide, with the chemical formula CO, is a colorless, odorless, and tasteless gas. It is the product of the incomplete combustion of carbon-containing compounds, notably in internal-combustion engines. It consists of one carbon atom covalently bonded to one oxygen atom. It is a gas at room temperature. Carbon monoxide is a significantly toxic gas and is the most common type of fatal poisoning in many countries. Exposures can lead to significant toxicity of the central nervous system and heart. Carbon monoxide has a higher diffusion coefficient compared to oxygen and the only enzyme in the human body that produces carbon monoxide is heme oxygenase which is located in all cells and breaks down heme. Because it has a higher diffusion coefficient than oxygen the body easily gets rid of any CO made. When CO is not ventilated it binds to hemoglobin, which is the principal oxygen-carrying compound in blood; this produces a compound known as carboxyhemoglobin. The traditional belief is that carbon monoxide toxicity arises from the formation of carboxyhemoglobin, which decreases the oxygen-carrying capacity of the blood and inhibits the transport, delivery, and utilization of oxygen by the body. The affinity between hemoglobin and carbon monoxide is approximately 230 times stronger than the affinity between hemoglobin and oxygen so hemoglobin binds to carbon monoxide in preference to oxygen. Following poisoning, long-term sequelae often occur. Carbon monoxide can also have severe effects on the fetus of a pregnant woman. Despite its serious toxicity, CO is extremely useful and underpins much modern technology, being a precursor to a myriad of useful - even life-saving - products. Carbon monoxide, though thought of as a pollutant today, has always been present in the atmosphere, chiefly as a product of volcanic activity. It occurs dissolved in molten volcanic rock at high pressures in the earth's mantle. Carbon monoxide contents of volcanic gases vary from less than 0.01% to as much as 2% depending on the volcano. It also occurs naturally in bushfires. Because natural sources of carbon monoxide are so variable from year to year, it is extremely difficult to accurately measure natural emissions of the gas. (wikipedia). |
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Structure | |
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Synonyms | Value | Source |
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[CO] | ChEBI | C#O | ChEBI | CO | ChEBI | Monoxide, carbon | HMDB |
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Chemical Formula | CO |
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Average Molecular Weight | 28.01 |
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Monoisotopic Molecular Weight | 27.99491462 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 630-08-0 |
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SMILES | [C-]#[O+] |
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InChI Identifier | InChI=1S/CO/c1-2 |
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InChI Key | UGFAIRIUMAVXCW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom 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 | Homogeneous other non-metal compounds |
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Sub Class | Not Available |
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Direct Parent | Homogeneous other non-metal compounds |
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Alternative Parents | Not Available |
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Substituents | - Homogeneous other non metal
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Not Available | Not Available |
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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]+ | 111.201 | 30932474 | DeepCCS | [M-H]- | 109.478 | 30932474 | DeepCCS | [M-2H]- | 144.774 | 30932474 | DeepCCS | [M+Na]+ | 118.115 | 30932474 |
Predicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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MS | Mass Spectrum (Electron Ionization) | splash10-004i-9000000000-dfbb2bd73fc3d527a340 | 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 monoxide 10V, Positive-QTOF | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon monoxide 20V, Positive-QTOF | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon monoxide 40V, Positive-QTOF | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon monoxide 10V, Negative-QTOF | splash10-004i-9000000000-b175ec2a41978516a72e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon monoxide 20V, Negative-QTOF | splash10-004i-9000000000-b175ec2a41978516a72e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Carbon monoxide 40V, Negative-QTOF | splash10-004i-9000000000-b175ec2a41978516a72e | 2016-08-03 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 72.0 +/- 25.0 uM | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected and Quantified | 350.0 +/- 178.0 uM | Adult (>18 years old) | Both | Smoking | | details |
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Associated Disorders and Diseases |
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Disease References | Smoking |
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- (). Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.. .
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB11588 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB022578 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 275 |
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KEGG Compound ID | C00237 |
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BioCyc ID | CARBON-MONOXIDE |
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BiGG ID | 1749973 |
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Wikipedia Link | Carbon_monoxide |
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METLIN ID | Not Available |
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PubChem Compound | 281 |
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PDB ID | Not Available |
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ChEBI ID | 17245 |
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Food Biomarker Ontology | Not Available |
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VMH ID | CO |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Ivanova, Svetlana; Pitchon, Veronique; Petit, Corinne. Application of the direct exchange method in the preparation of gold catalysts supported on different oxide materials. Journal of Molecular Catalysis A: Chemical (2006), 256(1-2), 278-283. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | Not Available |
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