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Yorodumi- ChemComp-XPG: 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocycl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XPG | ||||
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Name | Name: Synonyms: Prostaglandin E1 Wikipedia | Wikipedia - Prostaglandin E1: |
Prostaglandin E1 is a naturally occurring prostaglandin and is also used as a medication . In infants with congenital heart defects, it is delivered by slow injection into a vein to open the ductus arteriosus until surgery can be carried out... Comment | medication*YM | |
-Chemical information
Composition | Formula: C20H34O5 / Number of atoms: 59 / Formula weight: 354.481 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XPG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WHX | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | |
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