Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:52:33 UTC |
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Updated at | 2021-11-26 17:45:56 UTC |
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NP-MRD ID | NP0044145 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Myxotrilactone A |
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Description | Myxotrilactone A belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. It was first documented in 2021 (PMID: 34748561). Based on a literature review a significant number of articles have been published on Myxotrilactone A (PMID: 34746809) (PMID: 34740265) (PMID: 34728144) (PMID: 34722704). |
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Structure | C[C@@H]1C[C@H](O)CCC[C@H](O)[C@@H](O)\C=C/C(=O)O1 InChI=1S/C12H20O5/c1-8-7-9(13)3-2-4-10(14)11(15)5-6-12(16)17-8/h5-6,8-11,13-15H,2-4,7H2,1H3/b6-5-/t8-,9-,10+,11+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C12H20O5 |
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Average Mass | 244.2870 Da |
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Monoisotopic Mass | 244.13107 Da |
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IUPAC Name | (3Z,5S,6S,10R,12R)-5,6,10-trihydroxy-12-methyl-1-oxacyclododec-3-en-2-one |
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Traditional Name | (3Z,5S,6S,10R,12R)-5,6,10-trihydroxy-12-methyl-1-oxacyclododec-3-en-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1C[C@H](O)CCC[C@H](O)[C@@H](O)\C=C/C(=O)O1 |
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InChI Identifier | InChI=1S/C12H20O5/c1-8-7-9(13)3-2-4-10(14)11(15)5-6-12(16)17-8/h5-6,8-11,13-15H,2-4,7H2,1H3/b6-5-/t8-,9-,10+,11+/m1/s1 |
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InChI Key | JYYXJFSWNZTRLG-SXAYFJPJSA-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, 50 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Methanol-d4, 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 | Myxotrichum sp. |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Macrolides and analogues |
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Sub Class | Not Available |
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Direct Parent | Macrolides and analogues |
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Alternative Parents | |
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Substituents | - Macrolide
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | - Rai A, Chettri M, Dewan S, Khandelwal B, Chettri B: Epidemiological study of snakebite cases in Sikkim: Risk modeling with regard to the habitat suitability of common venomous snakes. PLoS Negl Trop Dis. 2021 Nov 8;15(11):e0009800. doi: 10.1371/journal.pntd.0009800. eCollection 2021 Nov. [PubMed:34748561 ]
- Parihar PS, Singh A, Karade SS, Sahasrabuddhe AA, Pratap JV: Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction. Curr Res Struct Biol. 2021 Oct 14;3:268-276. doi: 10.1016/j.crstbi.2021.10.002. eCollection 2021. [PubMed:34746809 ]
- Sanjeev MN, Kaur H, Mayall SS, Rishika, Yeluri R: Resorbable Collagen Barrier Impeding the Extrusion of Obturating Material in Primary Molars Undergoing Resorption - A Randomized Clinical Trial. J Clin Pediatr Dent. 2021 Nov 1;45(5):312-316. doi: 10.17796/1053-4625-45.5.4. [PubMed:34740265 ]
- Bechara R, Gaffen SL: '(m(6))A' stands for 'autoimmunity': reading, writing, and erasing RNA modifications during inflammation. Trends Immunol. 2021 Oct 30. pii: S1471-4906(21)00207-6. doi: 10.1016/j.it.2021.10.002. [PubMed:34728144 ]
- Lee GW, Kang MH, Ro WB, Song DW, Park HM: Circulating Galectin-3 Evaluation in Dogs With Cardiac and Non-cardiac Diseases. Front Vet Sci. 2021 Oct 14;8:741210. doi: 10.3389/fvets.2021.741210. eCollection 2021. [PubMed:34722704 ]
- Chao Yuan et al. (2018). Phytotoxic Secondary Metabolites from the Endolichenic Fungus Myxotrichum sp.. Chem Nat Compd 54, 638–641 (2018). https://doi.org/10.1007/s10600-018-2435-7. Chem Nat Compd.
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