| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:02:07 UTC |
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| Update Date | 2020-04-22 15:11:31 UTC |
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| BMDB ID | BMDB0002904 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2,3-Dinor-TXB2 |
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| Description | 2,3-Dinor-TXB2, also known as 2,3-dinor TXB2, 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, 2,3-dinor-TXB2 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 2,3-Dinor-TXB2. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,3-Dinor-thromboxane | HMDB | | 2,3-Dinorthromboxane | HMDB | | 2,3-Dinor TXB2 | HMDB | | 2,3-Dinor-thromboxane b2 | HMDB |
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| Chemical Formula | C18H30O6 |
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| Average Molecular Weight | 342.4272 |
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| Monoisotopic Molecular Weight | 342.204238692 |
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| IUPAC Name | (3Z)-5-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]pent-3-enoic acid |
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| Traditional Name | 2,3-dinor-thromboxane |
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| CAS Registry Number | 63250-09-9 |
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| SMILES | CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CC(O)=O |
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| InChI Identifier | InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22)/b6-5-,11-10+/t13-,14-,15-,16+,18?/m0/s1 |
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| InChI Key | RJHNVFKNIJQTQF-LMIBIYGPSA-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
- Medium-chain hydroxy acid
- Medium-chain fatty acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Oxane
- Fatty acid
- Unsaturated fatty acid
- Hemiacetal
- Secondary alcohol
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organoheterocyclic compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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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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