| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:52:30 UTC |
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| Update Date | 2020-05-11 20:52:11 UTC |
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| BMDB ID | BMDB0002200 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Leukotriene E4 |
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| Description | Leukotriene E4 belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. Thus, leukotriene E4 is considered to be an eicosanoid lipid molecule. Leukotriene E4 is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 20-Hydroxy-leukotriene e4 | HMDB | | 20-OH-Leukotriene e4 | HMDB | | LTE4 | HMDB | | [5S-[5R*,6S*(s*),7E,9E,11Z,14Z]]- 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11,14-eicosatetraenoate | HMDB | | [5S-[5R*,6S*(s*),7E,9E,11Z,14Z]]- 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11,14-eicosatetraenoic acid | HMDB |
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| Chemical Formula | C23H37NO5S |
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| Average Molecular Weight | 439.609 |
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| Monoisotopic Molecular Weight | 439.239243989 |
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| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-[(2-amino-2-carboxyethyl)sulfanyl]-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
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| Traditional Name | leukotriene E4 |
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| CAS Registry Number | 75715-89-8 |
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| SMILES | CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(O)=O)[C@@H](O)CCCC(O)=O |
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| InChI Identifier | InChI=1S/C23H37NO5S/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/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19?,20-,21+/m0/s1 |
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| InChI Key | OTZRAYGBFWZKMX-MPWKMEBCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. |
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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 | Leukotrienes |
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| Alternative Parents | |
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| Substituents | - Leukotriene
- Hydroxyeicosatetraenoic acid
- Long-chain fatty acid
- Cysteine or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- 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
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organopnictogen compound
- Primary aliphatic amine
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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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