Record Information |
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Version | 1.0 |
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Created at | 2022-09-11 06:31:12 UTC |
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Updated at | 2022-09-11 06:31:12 UTC |
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NP-MRD ID | NP0310891 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (5e,7e,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-Trans-laetiporic acid a, also known as 7-trans-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,7e,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 2020 (PMID: 36117566). Based on a literature review a significant number of articles have been published on 7-trans-laetiporic acid a (PMID: 36111068) (PMID: 36110537) (PMID: 36117130) (PMID: 36116325). |
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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-trans-Laetipate a | Generator | 7-trans-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,7E,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,7E,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-QVYPJYLCSA-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 ]
- Xu R, Xu J, Li YC, Dai YT, Zhang SP, Wang G, Liu ZG, Dong LL, Chen SL: Integrated chemical and transcriptomic analyses unveils synthetic characteristics of different medicinal root parts of Angelica sinensis. Chin Herb Med. 2019 Dec 24;12(1):19-28. doi: 10.1016/j.chmed.2019.07.003. eCollection 2020 Jan. [PubMed:36117566 ]
- Liu M, Zhao X, Ma Z, Qiu Z, Sun L, Wang M, Ren X, Deng Y: Discovery of potential Q-marker of traditional Chinese medicine based on chemical profiling, chemometrics, network pharmacology, and molecular docking: Centipeda minima as an example. Phytochem Anal. 2022 Dec;33(8):1225-1234. doi: 10.1002/pca.3173. Epub 2022 Sep 18. [PubMed:36117130 ]
- Bashir B, Riaz N, Abida Ejaz S, Saleem M, Ashraf M, Iqbal A, Muzaffar S, Ejaz S, Aziz-Ur-Rehman, Mohammad Kashif Mahmood H, Bhattarai K: Assessing p-tolyloxy-1,3,4-oxadiazole acetamides as lipoxygenase inhibitors assisted by in vitro and in silico studies. Bioorg Chem. 2022 Dec;129:106144. doi: 10.1016/j.bioorg.2022.106144. Epub 2022 Sep 11. [PubMed:36116325 ]
- LOTUS database [Link]
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