Leukotriene E4

HCID 5280879CAS 75715-89-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O
InChIKey
OTZRAYGBFWZKMX-FRFVZSDQSA-N
Summenformel
C23H37NO5S
Durchschnittliche Molmasse
439,6 g/mol
Monoisotopische Masse
439,23924428

Überblick

Leukotriene E4 is a leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an L-cystein-S-yl group at position 6 (6R). It is a leukotriene, a L-cysteine thioether, a secondary alcohol, an amino dicarboxylic acid and a non-proteinogenic L-alpha-amino acid. It is functionally related to an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene E4(1-).

Namen und Bezeichner

Bevorzugter Name
Leukotriene E4
IUPAC
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Englischer Name
Leukotriene E4
Summenformel
C23H37NO5S
Molmasse
439.61

Namen und Synonyme

leukotriene E4LTE475715-89-8Leukotriene E8EYT8ATL7GCHEBI:15650DTXSID208975105S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate(5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acid
Weitere Namen anzeigen
Leukotriene E4 MaxSpecStandardLeukotriene E4 Lipid Maps MS StandardLeukotriene E4, CysLT1 and CysLT2 agonistLEUKOTRIENE E4 SOLUTION (100UG/ML ETHANOL)5S-HYDROXY-6R-(S-CYSTEINYL)-7E,9E,11Z,14Z-EICOSATETRAENOIC ACID(5S,6R,7E,9E,11Z,14Z)-6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-5-hydroxyic(5S,6R,7E,9E,11Z,14Z)-6-[[(R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11,14-icosatetraenoic acid
7,9,11,14-Eicosatetraenoic acid, 6-((2-amino-2-carboxyethyl)thio)-5-hydroxy-, (5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-Leukotriene E 4Leukotriene E-4(5S,6R,7E,9E,11Z,14Z)-6-(2-AMINO-2-CARBOXYETHYL)SULFANYL-5-HYDROXYICOSA-7,9,11,14-TETRAENOIC ACID(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-((2R)-2-amino-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid(5S,6R,7E,9E,11Z,14Z)-6-((2R)-2-amino-3-hydroxy-3-oxopropyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acidS-((1R,2E,4E,6Z,9Z)-1-((1S)-4-carboxy-1-hydroxybutyl)pentadeca-2,4,6,9-tetraen-1-yl)-L-cysteine

Datenbank-Bezeichner

CAS
75715-89-8
PubChem CID
5280879
DTXSID
DTXSID20897510
ChEMBL
CHEMBL509456
ChEBI
CHEBI:15650
UNII
8EYT8ATL7G
Nikkaji
J264.600E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
146 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
18
Schwere Atome
30

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical DescriptionSolid
Collision Cross Section · 3 Einträge

212.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

227.9 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

213.2 Ų [M-H]-

Physikochemische Eigenschaften

storage temp.
20 °C · −20°C
Löslichkeit
50 mg/mL · 50mg/mL in DMSO or in DMF
Aggregatzustand
Liquid.
Farbe
Colorless to light yellow

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
WGK 1
ridadr
UN 1230 3/PG 2
risk_code
11
hazard_code
F,T
safety_code
7-16-23-45
Speicherklasse
3 - Flammable liquids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsSmooth Muscle
Cellular LocationsCytoplasm
Metabolite PathwaysFc Epsilon Receptor I Signaling in Mast Cells
Anwendungen · 1 Eintrag

VerwendenLeukotriene E4 is a metabolite of Arachidonic acid (A765000) via the lipoxygenase pathway, chemically related to the prostaglandins and thromboxanes. The name leukotrienes was applied because of their origin in leukocytes and their conjugated triene structures.

Anbieter23 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海金试生化科技有限公司18601717983 18601717983 · [email protected]
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…