Leukotriene C4
From DrugPedia: A Wikipedia for Drug discovery
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| - | == | + | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1356&show=SHOW-3D Show 3-D Structure] |
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| + | | IUPAC_name = (5S,6R,7E,9E,11Z,14Z)-6-\[(2R)-2-\[\[(4S)-4-amino-5-hydroxy-5-oxopentanoyl\]amino\]-3-(carboxymethylamino)-3-oxopropyl\]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid | ||
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The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990) | The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990) | ||
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==General Properties== | ==General Properties== | ||
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*[http://www.hmdb.ca/metabolites/HMDB01198]Human Metabolome DataBase | *[http://www.hmdb.ca/metabolites/HMDB01198]Human Metabolome DataBase | ||
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Current revision
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| Leukotriene C4
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| Systematic (IUPAC) name | |
| (5S,6R,7E,9E,11Z,14Z)-6-\[(2R)-2-\[\[(4S)-4-amino-5-hydroxy-5-oxopentanoyl\]amino\]-3-(carboxymethylamino)-3-oxopropyl\]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | ? |
| Chemical data | |
| Formula | ? |
| Mol. mass | ? |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
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| Legal status | |
| Routes | ? |
The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990)
[edit] General Properties
*Molecular Weight
625.77
*Molecular Formula
C30H47N3O9S
*IUPAC NAME
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
*Canonical Smiles
CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
*Isomeric Smiles
CCCCCC=C/CC=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
