Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:37:21 UTC |
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Updated at | 2021-06-30 00:18:38 UTC |
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NP-MRD ID | NP0043128 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | timuramide D |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | Timuramide D belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. timuramide D is found in Zanthoxylum armatum. It was first documented in 2021 (PMID: 34130369). Based on a literature review very few articles have been published on timuramide D (PMID: 34130276) (PMID: 34130326) (PMID: 34130315) (PMID: 34130243). |
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Structure | [H]OC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C(=O)N([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C10H17NO4/c1-10(2,15)7-11-8(12)5-3-4-6-9(13)14/h3,5,15H,4,6-7H2,1-2H3,(H,11,12)(H,13,14)/b5-3+ |
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Synonyms | Not Available |
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Chemical Formula | C10H17NO4 |
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Average Mass | 215.2490 Da |
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Monoisotopic Mass | 215.11576 Da |
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IUPAC Name | (4E)-5-[(2-hydroxy-2-methylpropyl)carbamoyl]pent-4-enoic acid |
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Traditional Name | (4E)-5-[(2-hydroxy-2-methylpropyl)carbamoyl]pent-4-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C(=O)N([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C10H17NO4/c1-10(2,15)7-11-8(12)5-3-4-6-9(13)14/h3,5,15H,4,6-7H2,1-2H3,(H,11,12)(H,13,14)/b5-3+ |
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InChI Key | XYDYMSMAHZGLLS-HWKANZROSA-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, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | 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 | Species Name | Source | Reference |
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Zanthoxylum armatum | JEOL database | - Devkota, K. P., et al, J. Nat. Prod. 76, 59 (2013)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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Substituents | - Medium-chain fatty acid
- Amino fatty acid
- Branched fatty acid
- Hydroxy fatty acid
- N-acyl-amine
- Unsaturated fatty acid
- Tertiary alcohol
- Secondary carboxylic acid amide
- Carboxamide group
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
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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 | 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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General References | - Malho Guedes A, Marques R, Domingos AT, Silva AP, Bernardo I, Neves PL, Rodrigues A, Krediet RT: Overhydration May Be the Missing Link between Peritoneal Protein Clearance and Mortality. Nephron. 2021 Jun 15:1-7. doi: 10.1159/000516531. [PubMed:34130276 ]
- Nepal S, Jarusriwanna A, Unnanuntana A: Stress Fracture of the Femoral Shaft in Paget's Disease of Bone: A Case Report. J Bone Metab. 2021 May;28(2):171-178. doi: 10.11005/jbm.2021.28.2.171. Epub 2021 May 31. [PubMed:34130369 ]
- Lindner LH: [Deep vein thrombosis - diagnostics and clarification]. Dtsch Med Wochenschr. 2021 Jun;146(12):832-836. doi: 10.1055/a-1226-5288. Epub 2021 Jun 15. [PubMed:34130326 ]
- Hekimian G, Masi P, Lejeune M, Lebreton G, Chommeloux J, Desnos C, Pineton De Chambrun M, Martin-Toutain I, Nieszkowska A, Brechot N, Schmidt M, Leprince P, Luyt CE, Combes A, Frere C: Extracorporeal Membrane Oxygenation Induces Early Alterations in Coagulation and Fibrinolysis Profiles in COVID-19 Patients with Acute Respiratory Distress Syndrome. Thromb Haemost. 2021 Aug;121(8):1031-1042. doi: 10.1055/a-1529-2257. Epub 2021 Jun 15. [PubMed:34130315 ]
- Cole J, Selby B, Ismail Z, McGirr A: D-cycloserine normalizes long-term motor plasticity after transcranial magnetic intermittent theta-burst stimulation in major depressive disorder. Clin Neurophysiol. 2021 Aug;132(8):1770-1776. doi: 10.1016/j.clinph.2021.04.002. Epub 2021 Apr 21. [PubMed:34130243 ]
- Devkota, K. P., et al. (2013). Devkota, K. P., et al, J. Nat. Prod. 76, 59 (2013). J. Nat. Prod..
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