| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:00 UTC |
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| Update Date | 2020-05-21 16:28:39 UTC |
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| BMDB ID | BMDB0002314 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11,12-DiHETrE |
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| Description | 11,12-DiHETrE, also known as 11,12-dhet, belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds. Thus, 11,12-dihetre is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 11,12-DiHETrE. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (+/-)11,12-dihetre | ChEBI | | (5Z,8Z,14Z)-11,12-Dihydroxyeicosa-5,8,14-trienoic acid | ChEBI | | (5Z,8Z,14Z)-11,12-Dihydroxyicosa-5,8,14-trienoic acid | ChEBI | | 11,12-DHET | ChEBI | | 11,12-Dihydroxy-5Z,8Z,14Z-eicosatrienoic acid | ChEBI | | 11,12-Dihydroxyeicosatrienoic acid | ChEBI | | (5Z,8Z,14Z)-11,12-Dihydroxyeicosa-5,8,14-trienoate | Generator | | (5Z,8Z,14Z)-11,12-Dihydroxyicosa-5,8,14-trienoate | Generator | | 11,12-Dihydroxy-5Z,8Z,14Z-eicosatrienoate | Generator | | 11,12-Dihydroxyeicosatrienoate | Generator | | (+/-)-11,12-dihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoate | HMDB | | (+/-)-11,12-dihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid | HMDB | | 12-Dihydroxyicosa-5,8,14-trienoate | HMDB | | 12-Dihydroxyicosa-5,8,14-trienoic acid | HMDB | | 11,12-DiHETE | HMDB |
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| Chemical Formula | C20H34O4 |
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| Average Molecular Weight | 338.4816 |
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| Monoisotopic Molecular Weight | 338.245709576 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 192461-95-3 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10- |
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| InChI Key | LRPPQRCHCPFBPE-KROJNAHFSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds. |
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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 | Hydroxyeicosatrienoic acids |
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| Alternative Parents | |
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| Substituents | - Hydroxyeicosatrienoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Unsaturated fatty acid
- Fatty acid
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- 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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| 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 | Not Available |
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| Spectra |
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| Spectra | |
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