Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 01:23:08 UTC |
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Updated at | 2022-04-29 01:23:08 UTC |
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NP-MRD ID | NP0080354 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3S,14S)-Petrocortyne B |
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Description | Methane, also known as CH4 or acticarbone, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Methane is possibly neutral. Methane exists in all living organisms, ranging from bacteria to humans. Methane is a potentially toxic compound. It is a colourless, odourless, non-toxic but flammable gas (b.P. (3S,14S)-Petrocortyne B is found in Petrosia sp. It was first documented in 1976 (PMID: 963185). -161DegreeC) (PMID: 15016464) (PMID: 7690875) (PMID: 9701194) (PMID: 7590441) (PMID: 15318794) (PMID: 8703194). |
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Structure | |
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Synonyms | Value | Source |
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CH4 | ChEBI | Marsh gas | ChEBI | Metano | ChEBI | Methan | ChEBI | Methyl hydride | ChEBI | Acticarbone | HMDB | Adsorbit | HMDB | Anthrasorb | HMDB | Aquadag | HMDB | Aroflow | HMDB | Arogen | HMDB | Arotone | HMDB | Arovel | HMDB | Arrow | HMDB | Atlantic | HMDB | Biogas | HMDB | Cancarb | HMDB | Canesorb | HMDB | Canlub | HMDB | Carbene | HMDB | Carbodis | HMDB | Carbolac | HMDB | Carbomet | HMDB | Carbone | HMDB | Carbonium | HMDB | Carbono | HMDB | Carbosieve | HMDB | Cecarbon | HMDB | Collocarb | HMDB | Conductex | HMDB | Continex | HMDB | Croflex | HMDB | Crolac | HMDB | Darco | HMDB | Degussa | HMDB | Electrographite | HMDB | Elftex | HMDB | Essex | HMDB | Excelsior | HMDB | Farbruss | HMDB | Fecto | HMDB | Filtrasorb | HMDB | Fire dAMP | HMDB | Flamruss | HMDB | Furnal | HMDB | Furnex | HMDB | Gastex | HMDB | Grafoil | HMDB | Grosafe | HMDB | Huber | HMDB | Humenegro | HMDB | Hydrodarco | HMDB | Kohlenstoff | HMDB | Korobon | HMDB | Kosmink | HMDB | Kosmobil | HMDB | Kosmolak | HMDB | Kosmos | HMDB | Kosmotherm | HMDB | Kosmovar | HMDB | Lampblack | HMDB | Magecol | HMDB | Metanex | HMDB | Methane in gaseus STate | HMDB | Methylene | HMDB | Methylidyne | HMDB | Micronex | HMDB | Modulex | HMDB | Molacco | HMDB | Neotex | HMDB | Nuchar | HMDB | Papyex | HMDB | Pelletex | HMDB | Philblack | HMDB | Plumbago | HMDB | Printex | HMDB | R 50 | HMDB | Rebonex | HMDB | Schungite | HMDB | Sevacarb | HMDB | Shungite | HMDB | Spheron | HMDB | Statex | HMDB | Superba | HMDB | Thermatomic | HMDB | Thermax | HMDB | Thermblack | HMDB | Tinolite | HMDB | Watercarb | HMDB |
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Chemical Formula | CH4 |
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Average Mass | 16.0425 Da |
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Monoisotopic Mass | 16.03130 Da |
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IUPAC Name | methane |
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Traditional Name | methane |
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CAS Registry Number | Not Available |
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SMILES | C |
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InChI Identifier | InChI=1S/CH4/h1H4 |
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InChI Key | VNWKTOKETHGBQD-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, CCl4, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Hydrocarbons |
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Class | Saturated hydrocarbons |
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Sub Class | Alkanes |
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Direct Parent | Alkanes |
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Alternative Parents | Not Available |
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Substituents | - Acyclic alkane
- Alkane
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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External Links |
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HMDB ID | HMDB0002714 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB023051 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 291 |
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KEGG Compound ID | C01438 |
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BioCyc ID | CH4 |
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BiGG ID | Not Available |
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Wikipedia Link | Methane |
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METLIN ID | 3190 |
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PubChem Compound | 297 |
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PDB ID | Not Available |
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ChEBI ID | 16183 |
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Good Scents ID | Not Available |
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References |
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General References | - Minh NH, Someya M, Minh TB, Kunisue T, Iwata H, Watanabe M, Tanabe S, Viet PH, Tuyen BC: Persistent organochlorine residues in human breast milk from Hanoi and Hochiminh City, Vietnam: contamination, accumulation kinetics and risk assessment for infants. Environ Pollut. 2004 Jun;129(3):431-41. [PubMed:15016464 ]
- Castelain P, Van Hummelen P, Deleener A, Kirsch-Volders M: Automated detection of cytochalasin-B blocked binucleated lymphocytes for scoring micronuclei. Mutagenesis. 1993 Jul;8(4):285-93. [PubMed:7690875 ]
- Rumessen JJ, Gudmand-Hoyer E: Fructans of chicory: intestinal transport and fermentation of different chain lengths and relation to fructose and sorbitol malabsorption. Am J Clin Nutr. 1998 Aug;68(2):357-64. [PubMed:9701194 ]
- Florin TH, Woods HJ: Inhibition of methanogenesis by human bile. Gut. 1995 Sep;37(3):418-21. [PubMed:7590441 ]
- Tsai WB, Shi Q, Grunkemeier JM, McFarland C, Horbett TA: Platelet adhesion to radiofrequency glow-discharge-deposited fluorocarbon polymers preadsorbed with selectively depleted plasmas show the primary role of fibrinogen. J Biomater Sci Polym Ed. 2004;15(7):817-40. [PubMed:15318794 ]
- Bernalier A, Willems A, Leclerc M, Rochet V, Collins MD: Ruminococcus hydrogenotrophicus sp. nov., a new H2/CO2-utilizing acetogenic bacterium isolated from human feces. Arch Microbiol. 1996 Sep;166(3):176-83. [PubMed:8703194 ]
- Ringvoll J, Nordstrand LM, Vagbo CB, Talstad V, Reite K, Aas PA, Lauritzen KH, Liabakk NB, Bjork A, Doughty RW, Falnes PO, Krokan HE, Klungland A: Repair deficient mice reveal mABH2 as the primary oxidative demethylase for repairing 1meA and 3meC lesions in DNA. EMBO J. 2006 May 17;25(10):2189-98. Epub 2006 Apr 27. [PubMed:16642038 ]
- Poyart C, Bursaux E, Freminet A, Bertin M: Interactions of short chain aliphatic hydrocarbons with human blood and haemoglobin A solutions. Biomedicine. 1976 Jul;25(6):224-7. [PubMed:963185 ]
- Rabot S, Viso M, Martin F, Blanquie JP, Popot F, Bensaada M, Vaissade P, Searby N, Szylit O: Effects of chair-restraint on gastrointestinal transit time and colonic fermentation in male rhesus monkey (Macaca mulatta). J Med Primatol. 1997 Aug;26(4):190-5. [PubMed:9416569 ]
- Kresimon J, Gruter UM, Hirner AV: HG/LT-GC/ICP-MS coupling for identification of metal(loid) species in human urine after fish consumption. Fresenius J Anal Chem. 2001 Nov;371(5):586-90. [PubMed:11767883 ]
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