| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:08:47 UTC |
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| Update Date | 2020-05-11 20:45:40 UTC |
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| BMDB ID | BMDB0004242 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11-Dehydro-thromboxane B2 |
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| Description | 11-Dehydro-thromboxane B2 belongs to the class of organic compounds known as thromboxanes. These are eicosanoids structurally characterized by the presence of a 6-member ether containing ring. Thus, 11-dehydro-thromboxane B2 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 11-Dehydro-thromboxane B2. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 11-dehydro-Thromboxane | HMDB | | 11-dehydro-TXB2 | HMDB, MeSH | | 11-Dehydrothromboxane | HMDB | | 11-Dehydrothromboxane b2 | HMDB, MeSH | | 11-DehydroTXB2 | HMDB | | 11-keto-Thromboxane | HMDB | | 11-keto-Thromboxane b2 | MeSH, HMDB |
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| Chemical Formula | C20H32O6 |
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| Average Molecular Weight | 368.4645 |
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| Monoisotopic Molecular Weight | 368.219888756 |
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| IUPAC Name | (5E)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl]hept-5-enoic acid |
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| Traditional Name | (5E)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl]hept-5-enoic acid |
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| CAS Registry Number | 67910-12-7 |
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| SMILES | CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O |
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| InChI Identifier | InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+/t15-,16-,17-,18+/m0/s1 |
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| InChI Key | KJYIVXDPWBUJBQ-SOGWKEBJSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as thromboxanes. These are eicosanoids structurally characterized by the presence of a 6-member ether containing ring. |
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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 | Eicosanoids |
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| Direct Parent | Thromboxanes |
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| Alternative Parents | |
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| Substituents | - Thromboxane
- Long-chain fatty acid
- Delta valerolactone
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Delta_valerolactone
- Unsaturated fatty acid
- Oxane
- Fatty acid
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Hydrocarbon derivative
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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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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| Spectra |
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| Spectra | |
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