| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:29 UTC |
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| Update Date | 2020-04-22 15:10:46 UTC |
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| BMDB ID | BMDB0002355 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Leukotriene E3 |
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| Description | Leukotriene E3, also known as LTE3, 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, leukotriene E3 is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on Leukotriene E3. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 14,15-Dihydro-leukotriene e4 | ChEBI | | 14,15-Dihydro-lte4 | ChEBI | | LTE3 | ChEBI | | (5S,6R,7E,9E,11Z)-6-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11-eicosatrienoate | HMDB | | (5S,6R,7E,9E,11Z)-6-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11-eicosatrienoic acid | HMDB | | [5S-[5R*,6S*(s*),7E,9E,11Z]]-6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11-eicosatrienoate | HMDB | | [5S-[5R*,6S*(s*),7E,9E,11Z]]-6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11-eicosatrienoic acid | HMDB |
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| Chemical Formula | C23H39NO5S |
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| Average Molecular Weight | 441.624 |
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| Monoisotopic Molecular Weight | 441.254894053 |
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| IUPAC Name | (5S,6R,7E,9E,11Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11-trienoic acid |
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| Traditional Name | leukotriene E3 |
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| CAS Registry Number | 79494-05-6 |
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| SMILES | CCCCCCCC\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O |
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| InChI Identifier | InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1 |
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| InChI Key | KRTWHKZMWCZCIK-VRZYSOTLSA-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
- L-cysteine-s-conjugate
- Cysteine or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- Hydroxy fatty acid
- Thia fatty acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Unsaturated fatty acid
- Amino acid or derivatives
- Amino acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Dialkylthioether
- Sulfenyl compound
- Thioether
- Primary aliphatic amine
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organopnictogen compound
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary amine
- Amine
- 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 | |
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| Spectra |
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| Spectra | |
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