Record Information |
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Version | 1.0 |
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Created at | 2022-09-10 06:59:36 UTC |
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Updated at | 2022-09-10 06:59:36 UTC |
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NP-MRD ID | NP0297027 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (5e,7z,9e,11e,13e,15e,17e,19z,21e,23e)-3-hydroxy-24-methyl-25-oxohexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid |
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Description | 7-Cis-laetiporic acid a, also known as 7-cis-laetipate a, 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. (5e,7z,9e,11e,13e,15e,17e,19z,21e,23e)-3-hydroxy-24-methyl-25-oxohexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid is found in Laetiporus sulphureus. It was first documented in 2022 (PMID: 36111068). Based on a literature review a significant number of articles have been published on 7-cis-laetiporic acid a (PMID: 36110537) (PMID: 36109723) (PMID: 36109198) (PMID: 36107364). |
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Structure | CC(=O)C(\C)=C\C=C\C=C/C=C/C=C/C=C/C=C/C=C/C=C\C=C\CC(O)CC(O)=O InChI=1S/C27H32O4/c1-24(25(2)28)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26(29)23-27(30)31/h3-21,26,29H,22-23H2,1-2H3,(H,30,31)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13-,16-14-,19-17+,20-18+,24-21+ |
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Synonyms | Value | Source |
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7-cis-Laetipate a | Generator | 7-cis-Laetipic acid a | Generator |
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Chemical Formula | C27H32O4 |
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Average Mass | 420.5490 Da |
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Monoisotopic Mass | 420.23006 Da |
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IUPAC Name | (5E,7Z,9E,11E,13E,15E,17E,19Z,21E,23E)-3-hydroxy-24-methyl-25-oxohexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid |
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Traditional Name | (5E,7Z,9E,11E,13E,15E,17E,19Z,21E,23E)-3-hydroxy-24-methyl-25-oxohexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)C(\C)=C\C=C\C=C/C=C/C=C/C=C/C=C/C=C/C=C\C=C\CC(O)CC(O)=O |
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InChI Identifier | InChI=1S/C27H32O4/c1-24(25(2)28)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26(29)23-27(30)31/h3-21,26,29H,22-23H2,1-2H3,(H,30,31)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13-,16-14-,19-17+,20-18+,24-21+ |
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InChI Key | KTAMMGIWIFDREV-SLHRBXMBSA-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 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
- Beta-hydroxy acid
- Branched fatty acid
- Hydroxy fatty acid
- Alpha-branched alpha,beta-unsaturated-ketone
- Unsaturated fatty acid
- Hydroxy acid
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Enone
- Secondary alcohol
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- 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 | - Goodrich JA, Walker D, Lin X, Wang H, Lim T, McConnell R, Conti DV, Chatzi L, Setiawan VW: Exposure to perfluoroalkyl substances and risk of hepatocellular carcinoma in a multiethnic cohort. JHEP Rep. 2022 Aug 8;4(10):100550. doi: 10.1016/j.jhepr.2022.100550. eCollection 2022 Oct. [PubMed:36111068 ]
- Guoyun X, Dawei D, Ning L, Yinan H, Fangfang Y, Siyuan T, Hao S, Jiaqi Y, Ang X, Guanya G, Xi C, Yulong S, Ying H: Efficacy and safety of fenofibrate add-on therapy in patients with primary biliary cholangitis refractory to ursodeoxycholic acid: A retrospective study and updated meta-analysis. Front Pharmacol. 2022 Aug 30;13:948362. doi: 10.3389/fphar.2022.948362. eCollection 2022. [PubMed:36110537 ]
- Ma S, Xu Q, Hu Q, Huang L, Wu D, Lin G, Chen X, Luo W: Post-operative uric acid: a predictor for 30-days mortality of acute type A aortic dissection repair. BMC Cardiovasc Disord. 2022 Sep 15;22(1):411. doi: 10.1186/s12872-022-02749-9. [PubMed:36109723 ]
- Hu Z, Zhu Y, Chen J, Chen J, Li C, Gao Z, Li J, Liu L: Sesquiterpenoids with Phytotoxic and Antifungal Activities from a Pathogenic Fungus Aspergillus alabamensis. J Agric Food Chem. 2022 Sep 28;70(38):12065-12073. doi: 10.1021/acs.jafc.2c05703. Epub 2022 Sep 15. [PubMed:36109198 ]
- Liu S, Lin H, Chen Y, Wang Y, Zhang X, Xiang Z, Cai X: Metabolic Profiling of Glabridin in Rat Plasma, Urine, Bile, and Feces After Intragastric and Intravenous Administration. Eur J Drug Metab Pharmacokinet. 2022 Nov;47(6):879-887. doi: 10.1007/s13318-022-00797-2. Epub 2022 Sep 15. [PubMed:36107364 ]
- LOTUS database [Link]
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