Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2006-05-22 14:17:50 UTC |
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Update Date | 2022-03-07 02:49:15 UTC |
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HMDB ID | HMDB0002363 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Levuglandin E2 |
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Description | Levuglandin E2 is a levuglandin generated in the cyclooxygenase (COX) pathway. Levuglandins (LGs) and their stereo and structural isomers are extraordinarily reactive γ-ketoaldehydes that are generated by rearrangements of prostanoid endoperoxide intermediates of polyene cyclooxygenation. Their rapid adduction with biological nucleophiles results, inter alia, in pathological modifications of proteins and DNA. It also complicates their detection. Cyclooxygenase-promoted lipid oxidation is a pivotal step in the biosynthesis of an array of physiologically active metabolites. COX fosters a highly regio and stereoselective cyclooxygenation of arachidonic acid (AA) to deliver a single, enantiomerically pure endoperoxide, PGH2, that is a branch point in the biosynthesis of numerous hormone-like mediators of cellular activities. Spontaneous rearrangements of PGH2 were known to generate prostaglandins (PG) PGD2 and PGE2. (PMID: 15752459 ). |
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Structure | CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@H](C\C=C/CCCC(O)=O)C(C)=O InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1 |
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Synonyms | Value | Source |
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10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate | HMDB | 10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid | HMDB | LGE2 | HMDB |
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Chemical Formula | C20H32O5 |
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Average Molecular Weight | 352.4651 |
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Monoisotopic Molecular Weight | 352.224974134 |
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IUPAC Name | (5Z,8S,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid |
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Traditional Name | (5Z,8S,9R,10E,12S)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid |
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CAS Registry Number | 91712-41-3 |
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SMILES | CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@H](C\C=C/CCCC(O)=O)C(C)=O |
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InChI Identifier | InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m0/s1 |
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InChI Key | WJWAORNTZNRHBP-LBONXFAWSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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 | Long-chain fatty acids |
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Alternative Parents | |
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Substituents | - Long-chain fatty acid
- Branched fatty acid
- Hydroxy fatty acid
- Unsaturated fatty acid
- Ketone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Aldehyde
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Levuglandin E2,1TMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O)C(C)=O)O[Si](C)(C)C | 2725.2 | Semi standard non polar | 33892256 | Levuglandin E2,1TMS,isomer #2 | CCCCC[C@H](O)/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O | 2681.8 | Semi standard non polar | 33892256 | Levuglandin E2,1TMS,isomer #3 | CCCCC[C@H](O)/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C | 2733.2 | Semi standard non polar | 33892256 | Levuglandin E2,1TMS,isomer #4 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)[C@H](C=O)/C=C/[C@@H](O)CCCCC | 2705.0 | Semi standard non polar | 33892256 | Levuglandin E2,1TMS,isomer #5 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O)C(C)=O | 2827.8 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O)O[Si](C)(C)C | 2691.0 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #2 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2787.1 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #3 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2737.9 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O)C(C)=O)O[Si](C)(C)C | 2888.2 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #5 | CCCCC[C@H](O)/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C | 2719.7 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #6 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@H](C=O)/C=C/[C@@H](O)CCCCC | 2710.7 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #7 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O | 2812.9 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #8 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C | 2976.8 | Semi standard non polar | 33892256 | Levuglandin E2,2TMS,isomer #9 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C)/C=C/[C@@H](O)CCCCC | 2883.1 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2741.0 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2652.8 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2725.8 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2700.1 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2631.9 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2760.1 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O)O[Si](C)(C)C | 2862.8 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O)O[Si](C)(C)C | 2596.9 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(C)=O)O[Si](C)(C)C | 2929.3 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 3020.2 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2569.2 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 3159.4 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #5 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2925.6 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #5 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2543.8 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #5 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 3209.3 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C | 2956.2 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C | 2645.1 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C | 3229.2 | Standard polar | 33892256 | Levuglandin E2,3TMS,isomer #7 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@@H](O)CCCCC | 2868.2 | Semi standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #7 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@@H](O)CCCCC | 2621.0 | Standard non polar | 33892256 | Levuglandin E2,3TMS,isomer #7 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@@H](O)CCCCC | 3286.7 | Standard polar | 33892256 | Levuglandin E2,4TMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2964.4 | Semi standard non polar | 33892256 | Levuglandin E2,4TMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2631.0 | Standard non polar | 33892256 | Levuglandin E2,4TMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C)=C(C)O[Si](C)(C)C)O[Si](C)(C)C | 2880.5 | Standard polar | 33892256 | Levuglandin E2,4TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2893.0 | Semi standard non polar | 33892256 | Levuglandin E2,4TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2609.3 | Standard non polar | 33892256 | Levuglandin E2,4TMS,isomer #2 | C=C(O[Si](C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)C(=CO[Si](C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C | 2913.4 | Standard polar | 33892256 | Levuglandin E2,1TBDMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O)C(C)=O)O[Si](C)(C)C(C)(C)C | 2964.4 | Semi standard non polar | 33892256 | Levuglandin E2,1TBDMS,isomer #2 | CCCCC[C@H](O)/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O | 2936.4 | Semi standard non polar | 33892256 | Levuglandin E2,1TBDMS,isomer #3 | CCCCC[C@H](O)/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C | 2963.6 | Semi standard non polar | 33892256 | Levuglandin E2,1TBDMS,isomer #4 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)[C@H](C=O)/C=C/[C@@H](O)CCCCC | 2943.6 | Semi standard non polar | 33892256 | Levuglandin E2,1TBDMS,isomer #5 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)C(C)=O | 3047.1 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O)O[Si](C)(C)C(C)(C)C | 3213.7 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #2 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3222.8 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #3 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3191.1 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)C(C)=O)O[Si](C)(C)C(C)(C)C | 3309.9 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #5 | CCCCC[C@H](O)/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C | 3178.9 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #6 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@H](C=O)/C=C/[C@@H](O)CCCCC | 3171.3 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #7 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O | 3265.0 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #8 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C | 3429.6 | Semi standard non polar | 33892256 | Levuglandin E2,2TBDMS,isomer #9 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H](O)CCCCC | 3319.9 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3450.9 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3162.6 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #1 | CCCCC[C@@H](/C=C/[C@@H](C=O)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2958.3 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3405.3 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3145.0 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)[C@H](C=O)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 2972.5 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O)O[Si](C)(C)C(C)(C)C | 3528.9 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O)O[Si](C)(C)C(C)(C)C | 3097.0 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #3 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(C)=O)O[Si](C)(C)C(C)(C)C | 3113.8 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3669.0 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3072.8 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #4 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3333.4 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #5 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3560.3 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #5 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3054.1 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #5 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3353.5 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C | 3627.3 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C | 3158.9 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #6 | CCCCC[C@H](O)/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C | 3393.0 | Standard polar | 33892256 | Levuglandin E2,3TBDMS,isomer #7 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H](O)CCCCC | 3534.4 | Semi standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #7 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H](O)CCCCC | 3131.5 | Standard non polar | 33892256 | Levuglandin E2,3TBDMS,isomer #7 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@@H](O)CCCCC | 3422.4 | Standard polar | 33892256 | Levuglandin E2,4TBDMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3850.0 | Semi standard non polar | 33892256 | Levuglandin E2,4TBDMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3270.0 | Standard non polar | 33892256 | Levuglandin E2,4TBDMS,isomer #1 | CCCCC[C@@H](/C=C/C(=CO[Si](C)(C)C(C)(C)C)C(C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3149.9 | Standard polar | 33892256 | Levuglandin E2,4TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3750.6 | Semi standard non polar | 33892256 | Levuglandin E2,4TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3253.2 | Standard non polar | 33892256 | Levuglandin E2,4TBDMS,isomer #2 | C=C(O[Si](C)(C)C(C)(C)C)[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C)C(=CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C | 3166.4 | Standard polar | 33892256 |
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