Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 18:34:41 UTC |
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Updated at | 2024-09-11 18:34:41 UTC |
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NP-MRD ID | NP0338893 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | PA(20:4(5Z,8Z,11Z,14Z)e/2:0) |
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Description | PA(20:4(5Z,8Z,11Z,14Z)e/2:0) Is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(20:4(5Z,8Z,11Z,14Z)e/2:0), In particular, consists of one 5Z,8Z,11Z,14Z-eicosatetraenoyl chain to the C-1 atom, and one acetyl to the C-2 atom. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the oleic acid moiety is derived from vegetable oils, especially olive and canola oil. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids. |
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Structure | [H][C@@](COCCCCC=CCC=CCC=CCC=CCCCCC)(COP(O)(O)=O)OC(C)=O InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/t25-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H43O7P |
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Average Mass | 486.5785 Da |
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Monoisotopic Mass | 486.27464 Da |
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IUPAC Name | [(2R)-2-(acetyloxy)-3-(icosa-5,8,11,14-tetraen-1-yloxy)propoxy]phosphonic acid |
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Traditional Name | (2R)-2-(acetyloxy)-3-(icosa-5,8,11,14-tetraen-1-yloxy)propoxyphosphonic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COCCCCC=CCC=CCC=CCC=CCCCCC)(COP(O)(O)=O)OC(C)=O |
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InChI Identifier | InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/t25-/m1/s1 |
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InChI Key | LTIFQHVEGFEXBJ-RUZDIDTESA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | 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 1-alkyl,2-acylglycerophosphates. These are glycerophosphates in which the O-1 atom of the glycerol is bonded to a fatty acid (saturated or unsaturated) through an ether linkage, and the O-2 atom is bonded to another fatty acid through an ester linkage. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphates |
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Direct Parent | 1-alkyl,2-acylglycerophosphates |
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Alternative Parents | |
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Substituents | - 1-alkyl,2-acyl-glycerol-3-phosphate
- Monoalkyl phosphate
- Glycerol ether
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Carboxylic acid ester
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- 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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