| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:10:13 UTC |
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| Update Date | 2020-04-22 15:14:01 UTC |
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| BMDB ID | BMDB0004684 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11,12,15-THETA |
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| Description | 11,12,15-THETA, also known as 11,12,15-trihetre, 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, 11,12,15-theta is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 11,12,15-THETA. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 11,12,15-Trihydroxyicosatrienoic acid | Kegg | | (5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid | Kegg | | (5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid | Kegg | | 11,12,15-Trihydroxyicosatrienoate | Generator | | (5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoate | Generator | | (5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoate | Generator | | 11,12,15-TriHETRE | HMDB | | 11,12,15S-Trihydroxy-5Z,8Z,13E-eicosatrienoate | HMDB | | 11,12,15S-Trihydroxy-5Z,8Z,13E-eicosatrienoic acid | HMDB |
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| Chemical Formula | C20H34O5 |
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| Average Molecular Weight | 354.481 |
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| Monoisotopic Molecular Weight | 354.240624198 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1 |
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| InChI Key | PRMWQIVYOYCJQC-YZSNCDGGSA-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
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Polyol
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- 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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