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    Prostaglandin E3

    PharmaCompass
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    2D Structure
    Also known as: Pge3, 802-31-3, Zed6sbl53s, 9-oxo-11r,15s-dihydroxy-5z,13e,17z-prostatrienoic acid, Chebi:28031, (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
    Molecular Formula
    C20H30O5
    Molecular Weight
    350.4  g/mol
    InChI Key
    CBOMORHDRONZRN-QLOYDKTKSA-N
    FDA UNII
    ZED6SBL53S
    Prostaglandin E3 is an eicosanoid that is generated by the action of cyclooxygenases on the omega-3 fatty acid eicosapentaenoic acid (EPA). Prostaglandin E3 regulates ocular pressure, exerts anti-inflammatory activities and may inhibit tumor cell proliferation. Prostaglandin E3 may be used as a biomarker for EPA to evaluate the association between EPA and its antineoplastic activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
    2.1.2 InChI
    InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
    2.1.3 InChI Key
    CBOMORHDRONZRN-QLOYDKTKSA-N
    2.1.4 Canonical SMILES
    CCC=CCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    2.1.5 Isomeric SMILES
    CC/C=C\C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    ZED6SBL53S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Delta(17)-pge1

    2. Delta(17)-prostaglandin E1

    3. Pge1, Delta(17)-

    4. Pge3

    2.3.2 Depositor-Supplied Synonyms

    1. Pge3

    2. 802-31-3

    3. Zed6sbl53s

    4. 9-oxo-11r,15s-dihydroxy-5z,13e,17z-prostatrienoic Acid

    5. Chebi:28031

    6. (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(1e,3s,5z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic Acid

    7. Prosta-5,13,17-trien-1-oicacid, 11,15-dihydroxy-9-oxo-, (5z,11a,13e,15s,17z)-

    8. Delta(17)-pge1

    9. Pge1, Delta(17)-

    10. Prosta-5,13,17-trien-1-oic Acid, 11,15-dihydroxy-9-oxo-, (5z,11.alpha.,13e,15s,17z)-

    11. Delta(17)-prostaglandin E1

    12. (-)-prostaglandin E3

    13. Unii-zed6sbl53s

    14. Schembl3366416

    15. Chembl2074717

    16. Dtxsid301045731

    17. Zinc4097122

    18. Lmfa03010135

    19. C06439

    20. Sr-01000946848

    21. Sr-01000946848-1

    22. Q15708280

    23. 9-oxo-11alpha,15s-dihydroxy-prosta-5z,13e,17z-trien-1-oic Acid

    24. 7-[3-hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoate

    25. (5z,11alpha,13e,15s,17z)-11,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic Acid

    26. (5z,13e,15s,17z)-11alpha,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic Acid

    27. 7-[3-hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoic Acid

    28. 7-[3-hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoic Acid Stereoisomer

    29. Prosta-5,13,17-trien-1-oic Acid, 11,15-dihydroxy-9-oxo-, (5z,11alpha,13e,15s,17z)-

    30. (5z,11.alpha.,13e,15s,17z)-11,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oic Acid

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 350.4 g/mol
    Molecular Formula C20H30O5
    XLogP32.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count11
    Exact Mass350.20932405 g/mol
    Monoisotopic Mass350.20932405 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity506
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1