12-Hydroxyeicosapentaenoic acid
Grundinformationen
- CAS
81187-21-5- Standard-SMILES
CC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\CCCC(=O)O- InChIKey
MCRJLMXYVFDXLS-QGQBRVLBSA-N- Summenformel
- C20H30O3
- Durchschnittliche Molmasse
- 318,4 g/mol
- Monoisotopische Masse
- 318,21949481
Überblick
12-HEPE is a hydroxyicosapentaenoic acid that consists of 5Z,8Z,10E,14Z,17Z-icosapentaenoic acid bearing an additional 12-hydroxy substituent. It has a role as a mouse metabolite. It is a conjugate acid of a 12-HEPE(1-).
Namen und Bezeichner
- Bevorzugter Name
- 12-Hydroxyeicosapentaenoic acid
- IUPAC
- (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
- Englischer Name
- (+/-)-12-HYDROXY-5Z,8Z,10E,14Z,17Z-EICOSAPENTAENOIC ACID
- Summenformel
- C20H30O3
- Molmasse
- 318.45
Namen und Synonyme
81187-21-512-Hydroxyeicosapentaenoic acid5N395S00KLDTXSID301345707(5Z,8Z,10E,14Z,17Z)-12-Hydroxy-5,8,10,14,17-eicosapentaenoic acidRefChem:1057428DTXCID30177435812-HEPE(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid(+/-)-12-HEPE12-Hepe, (+/-)-
Weitere Namen anzeigen
MCRJLMXYVFDXLS-QGQBRVLBSA-NEicosapentaenoic Acid Impurity 1012-Hydroxyeicosapentaenoic acid (12-HEPE)12-hydroxy-5(Z),8(Z),10(E),14(Z),17(Z)-EPA(5Z,8Z,10E,12S,14Z,17Z)-12-Hydroxy-5,8,10,14,17-icosapentaenoic acid5,8,10,14,17-Eicosapentaenoic acid, 12-hydroxy-, (5Z,8Z,10E,14Z,17Z)-
( inverted exclamation markA)12-HEPE(+/-)12-HEPEUNII-5N395S00KL12-hydroxyicosa-(5Z,8Z,10E,14Z,17Z)-pentaenoic acidSR-0100094690112-Hydroxyeicosapentaenoate12-Hydroxy-5,8,10,14,17-eicosapentaenoic acidorb1985142
Datenbank-Bezeichner
- CAS
81187-21-5- PubChem CID
- 10041593
- DTXSID
DTXSID301345707- ChEBI
CHEBI:72645- UNII
- 5N395S00KL
- Nikkaji
- J1.308.616H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 428
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
Physical DescriptionSolid
Collision Cross Section181.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
Physikochemische Eigenschaften
- Siedepunkt
- 488.04 · 488.040±45.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 0.997 · 0.997±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 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
- pka
- 4.749 · 4.749±0.10(predicted)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
Verwenden(+/-)12-HEPE is a compound which inhibits platelet aggregation.
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