Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 18:26:20 UTC |
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Updated at | 2021-08-19 23:59:14 UTC |
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NP-MRD ID | NP0002662 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1,3-Dimethylurea |
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Provided By | BMRB |
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Description | Dimethylurea belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Dimethylurea is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on Dimethylurea (PMID: 34404046) (PMID: 34403937) (PMID: 34403896) (PMID: 34403832) (PMID: 34403816) (PMID: 34403725). |
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Structure | InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) |
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Synonyms | Value | Source |
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1,3-Dimethylurea | ChEBI | N,N'-dimethylurea | HMDB | N,N-Dimethyl-urea | HMDB |
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Chemical Formula | C3H8N2O |
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Average Mass | 88.1084 Da |
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Monoisotopic Mass | 88.06366 Da |
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IUPAC Name | 1,3-dimethylurea |
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Traditional Name | dimethylurea |
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CAS Registry Number | Not Available |
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SMILES | CNC(=O)NC |
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InChI Identifier | InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) |
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InChI Key | MGJKQDOBUOMPEZ-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 | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic carbonic acids and derivatives |
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Sub Class | Ureas |
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Direct Parent | Ureas |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | |
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Predicted Properties | |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Al Riyees L, Al Madani W, Firwana N, Balkhy HH, Ferwana M, Alkhudhayri A: Antibiotic Prophylaxis against Surgical Site Infection after Open Hernia Surgery: A Systematic Review and Meta-Analysis. Eur Surg Res. 2021 Aug 17:1-13. doi: 10.1159/000517404. [PubMed:34404046 ]
- Bashir B, Shahid W, Ashraf M, Saleem M, Aziz-Ur-Rehman, Muzaffar S, Imran M, Amjad H, Bhattarai K, Riaz N: Identification of phenylcarbamoylazinane-1,3,4-oxadiazole amides as lipoxygenase inhibitors with expression analysis and in silico studies. Bioorg Chem. 2021 Aug 4;115:105243. doi: 10.1016/j.bioorg.2021.105243. [PubMed:34403937 ]
- Mavrommatis A, Theodorou G, Politis I, Tsiplakou E: Schizochytrium sp. Dietary supplementation modify Toll-like receptor 4 (TLR4) transcriptional regulation in monocytes and neutrophils of dairy goats. Cytokine. 2021 Aug 13;148:155588. doi: 10.1016/j.cyto.2021.155588. [PubMed:34403896 ]
- Laiton-Donato K, Franco-Munoz C, Alvarez-Diaz DA, Ruiz-Moreno HA, Usme-Ciro JA, Prada DA, Reales-Gonzalez J, Corchuelo S, Herrera-Sepulveda MT, Naizaque J, Santamaria G, Rivera J, Rojas P, Ortiz JH, Cardona A, Malo D, Prieto-Alvarado F, Gomez FR, Wiesner M, Martinez MLO, Mercado-Reyes M: Characterization of the emerging B.1.621 variant of interest of SARS-CoV-2. Infect Genet Evol. 2021 Aug 14:105038. doi: 10.1016/j.meegid.2021.105038. [PubMed:34403832 ]
- Maverakis E, Merleev AA, Park D, Kailemia MJ, Xu G, Ruhaak LR, Kim K, Hong Q, Li Q, Leung P, Liakos W, Wan YY, Bowlus CL, Marusina AI, Lal NN, Xie Y, Luxardi G, Lebrilla CB: Glycan biomarkers of autoimmunity and bile acid-associated alterations of the human glycome: Primary biliary cirrhosis and primary sclerosing cholangitis-specific glycans. Clin Immunol. 2021 Aug 14:108825. doi: 10.1016/j.clim.2021.108825. [PubMed:34403816 ]
- Lee D, Kim JY, Qi Y, Park S, Lee HL, Yamabe N, Kim H, Jang DS, Kang KS: Phytochemicals from the Flowers of Prunus persica (L.) Batsch: Anti-adipogenic Effect of Mandelamide on 3T3-L1 preadipocytes. Bioorg Med Chem Lett. 2021 Aug 14:128326. doi: 10.1016/j.bmcl.2021.128326. [PubMed:34403725 ]
- Sasaki Y, Zhu J, Shi Y, Gu W, Kobe B, Ve T, DiAntonio A, Milbrandt J: Nicotinic acid mononucleotide is an allosteric SARM1 inhibitor promoting axonal protection. Exp Neurol. 2021 Aug 14:113842. doi: 10.1016/j.expneurol.2021.113842. [PubMed:34403688 ]
- Rong MK, Bobylev EO, Holtrop F, Nieger M, Ehlers AW, Slootweg JC, Lammertsma K: Atypical And Asymmetric 1,3-P,N-Ligands: The Synthesis, Coordination and Catalytic Performance of Cycloiminophosphanes. Chemistry. 2021 Aug 17. doi: 10.1002/chem.202101921. [PubMed:34403555 ]
- Gouda A, Tolba SA, El-Moniary MM: Zinc and L-Ascorbic Acid Dietary Supplementation Affected Antioxidant Status, Heat Shock Protein 70, and Some Immunoglobulins in Japanese Quail Under Heat Stress Conditions. Biol Trace Elem Res. 2021 Aug 17. pii: 10.1007/s12011-021-02884-y. doi: 10.1007/s12011-021-02884-y. [PubMed:34403050 ]
- Hoppe C, Freuding M, Buntzel J, Munstedt K, Hubner J: Clinical efficacy and safety of oral and intravenous vitamin C use in patients with malignant diseases. J Cancer Res Clin Oncol. 2021 Aug 17. pii: 10.1007/s00432-021-03759-4. doi: 10.1007/s00432-021-03759-4. [PubMed:34402972 ]
- Studer JM, Kiefer ZE, Goetz BM, Keating AF, Baumgard LH, Rambo ZJ, Schweer WP, Wilson ME, Rapp C, Ross JW: Evaluation of the molecular response of corpora lutea to manganese amino acid complex supplementation in gilts. J Anim Sci. 2021 Aug 17. pii: 6353575. doi: 10.1093/jas/skab245. [PubMed:34402900 ]
- Chakraborty A, Mitra A, Tawate M, Sahoo S, Lad S, Rakshit S, Gaikwad S, Basu S, Shimpi H, Banerjee S: Therapeutic Multidose Preparation of a Ready-to-Use (177)Lu-PSMA-617 Using Carrier Added Lutetium-177 in a Hospital Radiopharmacy and Its Clinical Efficacy. Cancer Biother Radiopharm. 2021 Aug 16. doi: 10.1089/cbr.2020.4261. [PubMed:34402687 ]
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