Leukotriene B4
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Grundinformationen
- CAS
71160-24-2- Standard-SMILES
CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O- InChIKey
VNYSSYRCGWBHLG-AMOLWHMGSA-N- Summenformel
- C20H32O4
- Durchschnittliche Molmasse
- 336,5 g/mol
- Monoisotopische Masse
- 336,2300595
Überblick
Leukotriene B4 is a leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. It has a role as a vasoconstrictor agent, a mouse metabolite, a plant metabolite and a human metabolite. It is a hydroxy polyunsaturated fatty acid, a long-chain fatty acid, a leukotriene and a dihydroxy monocarboxylic acid. It is functionally related to an icosa-6,8,10,14-tetraenoic acid. It is a conjugate acid of a leukotriene B4(1-).
Namen und Bezeichner
- Bevorzugter Name
- Leukotriene B4
- IUPAC
- (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
- Englischer Name
- Leukotriene B4
- Summenformel
- C20H32O4
- Molmasse
- 336.47
Namen und Synonyme
LEUKOTRIENE B4LTB471160-24-25,12-Hete(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidLEUKOTRIENE_B41HGW4DR56D5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid5S,12R-diHETEDTXSID4037162CHEBI:15647(6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Weitere Namen anzeigen
Leukotriene B?LTB4 (Leukotriene B4)VNYSSYRCGWBHLG-AMOLWHMGSA-NLeukotriene B4 MaxSpecStandardleukotriene B4 ethanol solutionLeukotriene B4 Lipid Maps MS StandardLeukotriene B - CAS 71160-24-2 - Calbiochem
Leukotriene B5,12 diHETELeukotriene B 4Leukotriene B-4B-4, LeukotrieneRefChem:1531495,12 HETEDTXCID401765891
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 421
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Uses -> Biochemical Research
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical Description
Colorless liquid; [Fisher Scientific MSDS]
Solid
Collision Cross Section
185.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
187.44 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
186.8 Ų [M-H]-
Physikochemische Eigenschaften
- Siedepunkt
- 536.4 · 536.4±50.0 °C(Predicted)
- Dichte
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- Flammpunkt
- 14 °C · 14 °C
- storage temp.
- -20 °C · -20°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Hazards SummaryAn irritant; Inhalation of high concentrations may cause bronchospasm and delayed pulmonary edema; [Fisher Scientific MSDS]
Toxikologische Informationen
Adverse EffectsToxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Sicherheitsdaten
- wgk
- 1
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11
- hazard_code
- F
- safety_code
- 7-16
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsEpidermis
Cellular LocationsCytoplasm
Metabolite PathwaysAcetaminophen Action Pathway
Verwendung und Herstellung
Uses
Leukotrienes are metabolites of arachidonic acid that are chemically related to prostaglandins and thromboxanes; They are potent bronchoconstrictors that serve an important role in immediate hypersensitivity reactions; [Merck Index] The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990) [ChemIDplus]
Anwendungen
VerwendenLTB4 (Leukotriene B4) is a potent chemokine with roles in inflammation, immunology, the nervous system, brain and skin.
Ergänzende Hinweise
DefinitionChEBI: A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents.
Zugehörige Reaktionen
15
Notizen zur Verbindung
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