| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:02:43 UTC |
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| Update Date | 2020-05-11 20:10:24 UTC |
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| BMDB ID | BMDB0003080 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Leukotriene D4 |
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| Description | Leukotriene D4 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. Leukotriene D4 is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| (R-(R*,s*-(e,e,Z,Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-glycine | HMDB | | Leukotriene D | HMDB, MeSH | | LTD | HMDB | | LTD4 | HMDB | | Leukotrienes D | MeSH | | Leukotriene D-4 | MeSH | | Leukotriene D 4 | MeSH | | (5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate | Generator | | (5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulphanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate | Generator | | (5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulphanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid | Generator |
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| Chemical Formula | C25H40N2O6S |
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| Average Molecular Weight | 496.66 |
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| Monoisotopic Molecular Weight | 496.260707712 |
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| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
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| Traditional Name | leukotriene D4 |
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| CAS Registry Number | 73836-78-9 |
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| SMILES | CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |
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| InChI Identifier | InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1 |
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| InChI Key | YEESKJGWJFYOOK-LDDGIIIKSA-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
- Alpha-dipeptide
- Alpha peptide
- Long-chain fatty acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid amide
- Cysteine or derivatives
- Alpha-amino acid or derivatives
- Hydroxy fatty acid
- Thia fatty acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Secondary carboxylic acid amide
- Amino acid
- Carboxamide group
- Amino acid or derivatives
- Carboxylic acid derivative
- Carboxylic acid
- Dialkylthioether
- Sulfenyl compound
- Thioether
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Primary amine
- Primary aliphatic amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- 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
- Endoplasmic reticulum
- 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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