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    Epeleuton

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Epeleuton [inn], Fa9bpx1t6v, 1667760-39-5, (s,5z,8z,11z,13e,17z)-ethyl 15-hydroxyicosa-5,8,11,13,17-pentaenoate, 5,8,11,13,17-eicosapentaenoic acid, 15-hydroxy-, ethyl ester, (5z,8z,11z,13e,15s,17z)-, Unii-fa9bpx1t6v
    Molecular Formula
    C22H34O3
    Molecular Weight
    346.5  g/mol
    InChI Key
    DJYKWMOPVZGTRJ-PILRRHKESA-N
    FDA UNII
    FA9BPX1T6V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (5Z,8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-5,8,11,13,17-pentaenoate
    2.1.2 InChI
    InChI=1S/C22H34O3/c1-3-5-15-18-21(23)19-16-13-11-9-7-6-8-10-12-14-17-20-22(24)25-4-2/h5-7,10-13,15-16,19,21,23H,3-4,8-9,14,17-18,20H2,1-2H3/b7-6-,12-10-,13-11-,15-5-,19-16+/t21-/m0/s1
    2.1.3 InChI Key
    DJYKWMOPVZGTRJ-PILRRHKESA-N
    2.1.4 Canonical SMILES
    CCC=CCC(C=CC=CCC=CCC=CCCCC(=O)OCC)O
    2.1.5 Isomeric SMILES
    CC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)OCC)O
    2.2 Other Identifiers
    2.2.1 UNII
    FA9BPX1T6V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,8,11,13,17-eicosapentaenoic Acid, 15-hydroxy-, Ethyl Ester, (5z,8z,11z,13z,15s,17z)-

    2. Ethyl (5z,8z,11z,13z,15s,17z)-15-hydroxy-5,8,11,13,17-icosapentaenoate

    2.3.2 Depositor-Supplied Synonyms

    1. Epeleuton [inn]

    2. Fa9bpx1t6v

    3. 1667760-39-5

    4. (s,5z,8z,11z,13e,17z)-ethyl 15-hydroxyicosa-5,8,11,13,17-pentaenoate

    5. 5,8,11,13,17-eicosapentaenoic Acid, 15-hydroxy-, Ethyl Ester, (5z,8z,11z,13e,15s,17z)-

    6. Unii-fa9bpx1t6v

    7. 15(s)-hydroxy-(5z,8z,11z,13e,17z)-eicosapentaenoic Acid Ethyl Ester

    2.4 Create Date
    2018-05-16
    3 Chemical and Physical Properties
    Molecular Weight 346.5 g/mol
    Molecular Formula C22H34O3
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count15
    Exact Mass346.25079494 g/mol
    Monoisotopic Mass346.25079494 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity456
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count5
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1