Record Information |
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Version | 1.0 |
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Created at | 2022-09-11 14:18:58 UTC |
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Updated at | 2022-09-11 14:18:58 UTC |
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NP-MRD ID | NP0315601 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 9-hydroxydeca-2,4-dienoic acid |
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Description | 9-Hydroxydecen-2-enic 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. It was first documented in 2022 (PMID: 36122129). Based on a literature review a significant number of articles have been published on 9-hydroxydecen-2-enic acid (PMID: 36122121) (PMID: 36123115) (PMID: 36122940) (PMID: 36122933). |
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Structure | InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13) |
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Synonyms | Value | Source |
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9-Hydroxydecen-2-enate | Generator |
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Chemical Formula | C10H16O3 |
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Average Mass | 184.2350 Da |
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Monoisotopic Mass | 184.10994 Da |
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IUPAC Name | 9-hydroxydeca-2,4-dienoic acid |
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Traditional Name | 9-hydroxydeca-2,4-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(O)CCCC=CC=CC(O)=O |
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InChI Identifier | InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13) |
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InChI Key | BUNUAXLBBKVLBE-UHFFFAOYSA-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 | Not Available |
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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
- Hydroxy fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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 | - von Eckardstein A: High Density Lipoproteins: Is There a Comeback as a Therapeutic Target?. 2022. [PubMed:36122121 ]
- Olie RH, van der Meijden PEJ, Spronk HMH, ten Cate H: Antithrombotic Therapy: Prevention and Treatment of Atherosclerosis and Atherothrombosis. 2022. [PubMed:36122129 ]
- Gerrard A, Dawson C: Homocystinuria diagnosis and management: it is not all classical. J Clin Pathol. 2022 Sep 19. pii: jcp-2021-208029. doi: 10.1136/jcp-2021-208029. [PubMed:36123115 ]
- Clarizio L, Springer NL, Zachariah TT: The Utility of Bile Acids for the Diagnosis of Liver Disease in Exotic Animals. Vet Clin North Am Exot Anim Pract. 2022 Sep;25(3):563-584. doi: 10.1016/j.cvex.2022.05.001. [PubMed:36122940 ]
- Beura LK, Scott MC, Pierson MJ, Joag V, Wijeyesinghe S, Semler MR, Quarnstrom CF, Busman-Sahay K, Estes JD, Hamilton SE, Vezys V, O'Connor DH, Masopust D: Novel Lymphocytic Choriomeningitis Virus Strain Sustains Abundant Exhausted Progenitor CD8 T Cells without Systemic Viremia. J Immunol. 2022 Nov 1;209(9):1691-1702. doi: 10.4049/jimmunol.2200320. Epub 2022 Sep 19. [PubMed:36122933 ]
- LOTUS database [Link]
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