Leukotriene C4
From DrugPedia: A Wikipedia for Drug discovery
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| - | | IUPAC_name = | + | | 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 |
| CAS_number = | | CAS_number = | ||
| CAS_supplemental = | | CAS_supplemental = | ||
Revision as of 11:11, 20 February 2009
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{{Drugbox | 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 | CAS_number = | CAS_supplemental = | ATC_suffix = | ATC_supplemental = | PubChem = | DrugBank = | ChemSpiderID = | chemical_formula = | molecular_weight = | smiles = | synonyms = | density = | melting_point = | boiling_point = | solubility = | specific_rotation = | sec_combustion = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = | excretion = | pregnancy_category= | dependency_liability = | routes_of_administration = }}
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)
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
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
