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    AP-001

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Protectin d1, 660430-03-5, Npd1, (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid, 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic acid, 4,7,11,13,15,19-docosahexaenoic acid, 10,17-dihydroxy-,(4z,7z,11e,13e,15z,17s,19z)-
    Molecular Formula
    C22H32O4
    Molecular Weight
    360.5  g/mol
    InChI Key
    CRDZYJSQHCXHEG-SFVBTVKNSA-N
    FDA UNII
    P3FX063KLI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
    2.1.2 InChI
    InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
    2.1.3 InChI Key
    CRDZYJSQHCXHEG-SFVBTVKNSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    P3FX063KLI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

    2. Protectin D1

    2.3.2 Depositor-Supplied Synonyms

    1. Protectin D1

    2. 660430-03-5

    3. Npd1

    4. (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic Acid

    5. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

    6. 4,7,11,13,15,19-docosahexaenoic Acid, 10,17-dihydroxy-,(4z,7z,11e,13e,15z,17s,19z)-

    7. Pd1

    8. 10r,17s-dihydroxy-4z,7z,11e,13e,15z,19z-docosahexaenoic Acid

    9. Npd-1

    10. (neuro)protectin D1

    11. P3fx063kli

    12. (n)pd1

    13. Schembl4160957

    14. Chembl3234407

    15. Chebi:138655

    16. Dtxsid101031663

    17. Ap-001

    18. Lmfa04040001

    19. Akos040755787

    20. Hy-130413

    21. Cs-0107663

    22. Q18345077

    23. 10r,17s-dihydroxy-docosa-4z,7z,11e,13e,15z,19z-hexaenoate

    24. (4z,7z,10r,11e,13e,15z,17s,19z)-10,17-dihydroxydocosahexaenoic Acid

    25. 10(r),17(s)-dihydroxydocosa-4z,7z,11e,13e,15z,19z-hexaenoic Acid

    26. (4z,7z,10r,11e,13e,15z,17s,19z) 10,17-dihydroxy-docosa-4,7,11,13,15,19-hexaenoic Acid

    27. 4,7,11,13,15,19-docosahexaenoic Acid, 10,17-dihydroxy-, (4z,7z,10r,11e,13e,15z,17s,19z)-

    2.4 Create Date
    2007-04-23
    3 Chemical and Physical Properties
    Molecular Weight 360.5 g/mol
    Molecular Formula C22H32O4
    XLogP34
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count14
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area77.8
    Heavy Atom Count26
    Formal Charge0
    Complexity524
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count6
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1