Grundinformationen
- Standard-SMILES
CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
DSNBHJFQCNUKMA-SCKDECHMSA-N- Summenformel
- C20H32O5
- Durchschnittliche Molmasse
- 352,5 g/mol
- Monoisotopische Masse
- 352,22497412
Namen und Bezeichner
- Bevorzugter Name
- Thromboxane A2
- IUPAC
- (Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
- Englischer Name
- 7-[3-(3-hydroxyoct-1-enyl)-4,6-dioxabicyclo[3.1.1]hept-2-yl]hept-5-enoic acid
- Summenformel
- C20H32O5
- Molmasse
- 352.47
Namen und Synonyme
thromboxane A2TXA257576-52-0TXA-24C2A5G825SDTXSID2013174529S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acidThromboxa-5,13-dien-1-oic acid, 9,11-epoxy-15-hydroxy-, (5Z,9alpha,11alpha,13E,15S)-(Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acidCHEBI:15627(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate(5Z,13E,15S)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid
Weitere Namen anzeigen
Thromboxane A2,Thromboxane A-2Rabbit aorta contracting substance(5Z,13E,15S)-9α,11α-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid7-[3-(3-hydroxyoct-1-enyl)-4,6-dioxabicyclo[3.1.1]hept-2-yl]hept-5-enoic acid(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid5-Heptenoic acid, 7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-, (5Z)-
(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo(3.1.1)hept-4-yl)-, (1S-(1alpha,3alpha,3R*),4beta(Z),5alpha)-A2, Thromboxane(Z)-7-((1S,2S,3R,5S)-3-((E,3S)-3-hydroxyoct-1-enyl)-4,7-dioxabicyclo(3.1.1)heptan-2-yl)hept-5-enoic acid(Z)-7-((1S,3R,4S,5S)-3-((E,3S)-3-hydroxyoct-1-enyl)-2,6-dioxabicyclo(3.1.1)heptan-4-yl)hept-5-enoic acid(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acidRefChem:189793DTXCID901747264
Datenbank-Bezeichner
- CAS
57576-52-0- PubChem CID
- 5280497
- DTXSID
DTXSID201317452- ChEMBL
CHEMBL5283529- ChEBI
CHEBI:15627- UNII
- 4C2A5G825S
- Nikkaji
- J40.890E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 459
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlatelet；Smooth Muscle
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；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
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