5-Hydroxyeicosatetraenoic Acid
Grundinformationen
- CAS
330796-62-8- Standard-SMILES
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O- InChIKey
KGIJOOYOSFUGPC-JGKLHWIESA-N- Summenformel
- C20H32O3
- Durchschnittliche Molmasse
- 320,5 g/mol
- Monoisotopische Masse
- 320,23514488
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydroxyeicosatetraenoic Acid
- IUPAC
- (5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
- Englischer Name
- 5(S)-HETE-D8
- Summenformel
- C20H24D8O3
- Molmasse
- 320.47
Namen und Synonyme
70608-72-95-Hete5-Hydroxyeicosatetraenoic acid5-Hydroxy-6,8,11,14-eicosatetraenoic acid467RNW8T915-HETE [MI]5-HETE, (S)-5-L-Hydroxy-6,8,11,14-eicosatetraenoic acidDTXSID7010172815(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (5S,6E,8Z,11Z,14Z)-6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-
Weitere Namen anzeigen
5(S)-HETE-D814,15-Dihydroxy-5,8,10,12-eicosatetraenoic Acid-D8(S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid5S-HYDROXY-6E,8Z,11Z,14Z-EICOSATETRAENOIC-5,6,8,9,11,12,14,15-D8 ACID
CHEBI:609435-OH 6t,8c,11c,14c-20:45-hydroxy,6E,8Z,11Z,14Z-eicosatetraenoic acid5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acidRefChem:5362375-hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid5-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid(6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid
Datenbank-Bezeichner
- CAS
330796-62-8、70608-72-9- PubChem CID
- 5280733
- DTXSID
DTXSID701017281- ChEMBL
CHEMBL164813- ChEBI
CHEBI:28209- UNII
- 467RNW8T91
- EC Number
- 633-222-7
- Nikkaji
- J390.336B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 392
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Collision Cross Section
187.2 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；188.21 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
187 Ų [M+Na]+；186.6 Ų [M-H]-
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 0.1 M · 0.1 M Na2CO3: 2 mg/ml,DMF: Miscible,DMSO: Miscible,Ethanol: Miscible,PBS pH 7.2: 0.8 mg/ml
- Aggregatzustand
- Liquid
- Farbe
- Colorless to light yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H225
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Cellular LocationsExtracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details
Anwendungen
Verwenden5(S)-HETE-d8 contains eight deuterium atoms at the 5, 6, 8, 9, 11, 12, 14, and 15 positions. It is intended for use as an internal standard for the quantification of 5(S)-HETE by GC- or LC-mass spectrometry (MS). 5(S)-HETE is produced by the action of 5-lipoxygenase on arachidonic acid to give 5(S)-HpETE, followed by reduction of the hydroperoxide. 5(S)-HETE has proliferative and chemotactic effects on granulocytes. When further metabolized to the 5-oxoETE, it is a more potent eosinophil chemoattractant than leukotriene B4.
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