Record Information |
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Version | 2.0 |
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Created at | 2022-09-04 03:21:23 UTC |
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Updated at | 2022-09-04 03:21:23 UTC |
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NP-MRD ID | NP0187250 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-[(2r)-5-oxooxolan-2-yl]octanoic acid |
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Description | 8-[(2R)-5-oxooxolan-2-yl]octanoic acid 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. 8-[(2r)-5-oxooxolan-2-yl]octanoic acid is found in Phaseolus vulgaris. It was first documented in 2022 (PMID: 36057864). Based on a literature review a significant number of articles have been published on 8-[(2R)-5-oxooxolan-2-yl]octanoic acid (PMID: 36057863) (PMID: 36057862) (PMID: 36057861) (PMID: 36057860) (PMID: 36057856) (PMID: 36057859). |
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Structure | OC(=O)CCCCCCC[C@@H]1CCC(=O)O1 InChI=1S/C12H20O4/c13-11(14)7-5-3-1-2-4-6-10-8-9-12(15)16-10/h10H,1-9H2,(H,13,14)/t10-/m1/s1 |
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Synonyms | Value | Source |
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8-[(2R)-5-Oxooxolan-2-yl]octanoate | Generator |
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Chemical Formula | C12H20O4 |
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Average Mass | 228.2880 Da |
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Monoisotopic Mass | 228.13616 Da |
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IUPAC Name | 8-[(2R)-5-oxooxolan-2-yl]octanoic acid |
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Traditional Name | 8-[(2R)-5-oxooxolan-2-yl]octanoic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)CCCCCCC[C@@H]1CCC(=O)O1 |
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InChI Identifier | InChI=1S/C12H20O4/c13-11(14)7-5-3-1-2-4-6-10-8-9-12(15)16-10/h10H,1-9H2,(H,13,14)/t10-/m1/s1 |
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InChI Key | SAHSZEZNXHBRJR-SNVBAGLBSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 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
- Heterocyclic fatty acid
- Dicarboxylic acid or derivatives
- Gamma butyrolactone
- Tetrahydrofuran
- Carboxylic acid ester
- Lactone
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Carbonyl group
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- 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 | - Poon AWC, Hofstaetter L, Judd-Lam S: Social connectedness of carers: An Australian national survey of carers. Health Soc Care Community. 2022 Sep 4. doi: 10.1111/hsc.13987. [PubMed:36057864 ]
- Johnson-Laghi KA, Woo SM, Zafar Z, Fernandez S, Desale S, Robertazzi SE, Smith CI, Thomas AM, Lalos AT, Georgia SJ, Jenkins ML, Faust TW, Fishbein TM, Satoskar RS, Rangnekar AS, Hsu CC: Alcohol-associated liver disease predicts increased post-liver transplant opioid use. Clin Transplant. 2022 Sep 4:e14811. doi: 10.1111/ctr.14811. [PubMed:36057863 ]
- Michael GC, Grema BA, Ashimi AO, Olawumi AL, Umar ZA, Mahmoud Z, Aji SA: Predictors of Satisfaction with Wound Care Services in an Outpatient Setting in Kano, Nigeria. West Afr J Med. 2022 Aug 31;39(8):800-807. [PubMed:36057862 ]
- Jouglar E, Laprie A, Isfan F, Dumont B, Thebaud E, Escande A, Supiot S: Locoregional failure after postoperative flank irradiation for nephroblastoma: Results from the French cohort of the SIOP-2001 trial. Pediatr Blood Cancer. 2022 Sep 4:e29950. doi: 10.1002/pbc.29950. [PubMed:36057861 ]
- Ruiu L, Marche MG, Mura ME, Tarasco E: Involvement of a novel Pseudomonas protegens strain associated with entomopathogenic nematode infective juveniles in insect pathogenesis. Pest Manag Sci. 2022 Sep 4. doi: 10.1002/ps.7166. [PubMed:36057860 ]
- Demirel M, Diken Turksayar AA, Donmez MB: Translucency, color stability, and biaxial flexural strength of advanced lithium disilicate ceramic after coffee thermocycling. J Esthet Restor Dent. 2022 Sep 4. doi: 10.1111/jerd.12960. [PubMed:36057856 ]
- Ren L, Li W, Li Q, Zhang D, Fang W, Yan D, Li Y, Wang Q, Jin X, Cao A: Metolachlor metal-organic framework nanoparticles for reducing leaching, ecotoxicity and improving bioactivity. Pest Manag Sci. 2022 Dec;78(12):5366-5378. doi: 10.1002/ps.7159. Epub 2022 Sep 26. [PubMed:36057859 ]
- Nganwuchi CC, Onuegbu AJ, Olisekodiaka MJ, Okwara JE, Amah UK, Okamgba OC, Offiah SA: Comparative Evaluation of Creatinine and Cystatin C Derived Glomerular Filtration Rate Methods in Hiv Patients on Therapy and Healthy Controls. West Afr J Med. 2022 Aug 31;39(8):795-799. [PubMed:36057858 ]
- Ezeala-Adikaibe BA, Okafor UH, Okwara CC, Iwuozo E, Ekochin F, Mbadiwe N, Chime P, Okpara T, Nnaji T, Nwobodo M, Ezeme M: Audit of Stroke Admissions in a Tertiary Hospital in South East Nigeria. West Afr J Med. 2022 Aug 31;39(8):788-794. [PubMed:36057857 ]
- Authors unspecified: [Not Available]. Rofo. 2022 Jan;194(1):93. doi: 10.1055/a-1544-2324. Epub 2021 Dec 15. [PubMed:36057855 ]
- LOTUS database [Link]
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