Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 04:08:06 UTC |
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Updated at | 2022-09-12 04:08:06 UTC |
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NP-MRD ID | NP0324202 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (25e,43e)-4,5,27,34,38,42,45-heptahydroxy-19-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid |
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Description | Osirisyne b belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Thus, osirisyne b is considered to be a fatty acid. (25e,43e)-4,5,27,34,38,42,45-heptahydroxy-19-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid was first documented in 2020 (PMID: 32635268). Based on a literature review very few articles have been published on Osirisyne b. |
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Structure | OC(CCCC(O)\C=C\C(O)C#C)CC#CC(O)C#CCCCCC(O)\C=C\CCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C#CC(O)=O InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)29-21-16-15-20-28-41(50)27-19-13-10-12-18-26-40(49)25-17-11-8-6-4-3-5-7-9-14-22-34-45(54)46(55)37-38-47(56)57/h1,19,27,35-36,39,41-46,48,50-55H,3-18,20,22,24-26,28,31-34H2,(H,56,57)/b27-19+,36-35+ |
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Synonyms | Not Available |
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Chemical Formula | C47H72O10 |
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Average Mass | 797.0830 Da |
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Monoisotopic Mass | 796.51255 Da |
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IUPAC Name | (25E,43E)-4,5,27,34,38,42,45-heptahydroxy-19-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid |
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Traditional Name | (25E,43E)-4,5,27,34,38,42,45-heptahydroxy-19-oxoheptatetraconta-25,43-dien-2,32,35,46-tetraynoic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(CCCC(O)\C=C\C(O)C#C)CC#CC(O)C#CCCCCC(O)\C=C\CCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C#CC(O)=O |
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InChI Identifier | InChI=1S/C47H72O10/c1-2-39(48)35-36-44(53)33-24-32-43(52)31-23-30-42(51)29-21-16-15-20-28-41(50)27-19-13-10-12-18-26-40(49)25-17-11-8-6-4-3-5-7-9-14-22-34-45(54)46(55)37-38-47(56)57/h1,19,27,35-36,39,41-46,48,50-55H,3-18,20,22,24-26,28,31-34H2,(H,56,57)/b27-19+,36-35+ |
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InChI Key | DHSSYQMKWZSZRR-UAPJGMTNSA-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 very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 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 | Very long-chain fatty acids |
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Alternative Parents | |
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Substituents | - Very long-chain fatty acid
- Hydroxy fatty acid
- Unsaturated fatty acid
- Ketone
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Acetylide
- Monocarboxylic acid or derivatives
- Polyol
- Carbonyl group
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Organic oxide
- 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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