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    Dioleoyl Phosphatidylserine

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    2D Structure
    Also known as: 1,2-dioleoylphosphatidylserine, Dopse, 1,2-dlps, 1,2-dioleoyl-sn-glycero-3-phospho-l-serine, 1,2-dioleoyl-sn-glycero-3-phosphoserine, Phosphatidylserine(36:2)
    Molecular Formula
    C42H78NO10P
    Molecular Weight
    788.0  g/mol
    InChI Key
    WTBFLCSPLLEDEM-JIDRGYQWSA-N
    FDA UNII
    KJ401H4834
    PS(18:1(9Z)/18:1(9Z)) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
    2.1.2 InChI
    InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1
    2.1.3 InChI Key
    WTBFLCSPLLEDEM-JIDRGYQWSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC
    2.1.5 Isomeric SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
    2.2 Other Identifiers
    2.2.1 UNII
    KJ401H4834
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2-dioleoyl-sn-glycero-3-phosphoserine

    2. 1,2-dioleoylphosphatidylserine

    3. 1,2-dioleoylphosphatidylserine, (z,z)-isomer

    4. 1,2-dioleoylphosphatidylserine, Monosodium Salt, (r-(z,z))-isomer

    5. 1,2-dioleoylphosphatidylserine, Sodium Salt, (z,z)-isomer

    6. 1,2-dlps

    7. Dopse

    2.3.2 Depositor-Supplied Synonyms

    1. 1,2-dioleoylphosphatidylserine

    2. Dopse

    3. 1,2-dlps

    4. 1,2-dioleoyl-sn-glycero-3-phospho-l-serine

    5. 1,2-dioleoyl-sn-glycero-3-phosphoserine

    6. Phosphatidylserine(36:2)

    7. Ps(18:1(9z)/18:1(9z))

    8. Ps(18:1/18:1)

    9. Phosphatidylserine(18:1/18:1)

    10. Dioleoylphosphatidylserine

    11. 70614-14-1

    12. Ps(36:2)

    13. Chebi:60568

    14. Ps(18:1omega9/18:1omega9)

    15. 1,2-di-(9z-octadecenoyl)-sn-glycero-3-phosphoserine

    16. Kj401h4834

    17. Phosphatidylserine(18:1omega9/18:1omega9)

    18. L-serine, 2,3-bis((1-oxo-9-octadecenyl)oxy)propyl Hydrogen Phosphate (ester), (r-(z,z))-

    19. O-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine

    20. L-serine, 2,3-bis[(1-oxo-9-octadecenyl)oxy]propyl-2-t Hydrogen Phosphate (ester), [r-(z,z)]-

    21. Ps(36:02)

    22. Unii-kj401h4834

    23. 4,6,10-trioxa-5-phosphaoctacos-19-enoic Acid, 2-amino-5-hydroxy-11-oxo-8-(((9z)-1-oxo-9-octadecen-1-yl)oxy)-, 5-oxide, (2s,8r,19z)-

    24. 4,6,10-trioxa-5-phosphaoctacos-19-enoic Acid, 2-amino-5-hydroxy-11-oxo-8-[[(9z)-1-oxo-9-octadecen-1-yl]oxy]-, 5-oxide, (2s,8r,19z)-

    25. Epitope Id:140431

    26. Dops, R-

    27. Schembl203029

    28. Chembl4165044

    29. 18:1 Ps (dops)

    30. Dtxsid701311823

    31. Pser(18:1/18:1)

    32. Pser(18:1n9/18:1n9)

    33. Pser(18:1w9/18:1w9)

    34. Lmgp03010030

    35. Zinc85588324

    36. Phosphatidylserine(18:1n9/18:1n9)

    37. Phosphatidylserine(18:1w9/18:1w9)

    38. Ps(18:1n9/18:1n9)

    39. Ps(18:1w9/18:1w9)

    40. 1,2-dioleoyl-rac-glycero-3-phosphoserine

    41. Ps(18:1_18:1)

    42. Q27127822

    43. O-[({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 788.0 g/mol
    Molecular Formula C42H78NO10P
    XLogP310.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count42
    Exact Mass787.53633468 g/mol
    Monoisotopic Mass787.53633468 g/mol
    Topological Polar Surface Area172 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity1020
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1