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    Popc;1-Palmitoyl-2-Oleoyl-Sn-Glycero-3-Phosphocholine

    PharmaCompass
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    2D Structure
    Also known as: Pc(16:0/18:1(9e)), 1-hexadecanoyl-2-(9e-octadecenoyl)-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine, Chebi:178448, Lmgp01010581, [(2r)-3-hexadecanoyloxy-2-[(e)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    Molecular Formula
    C42H82NO8P
    Molecular Weight
    760.1  g/mol
    InChI Key
    WTJKGGKOPKCXLL-RYDYYDTQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    2.1.2 InChI
    InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20+/t40-/m1/s1
    2.1.3 InChI Key
    WTJKGGKOPKCXLL-RYDYYDTQSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1-palmitoyl-2-oleoyl-lecithin

    2. 1-palmitoyl-2-oleoyl-phosphatidylcholine

    3. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine

    4. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

    5. 1-palmitoyl-2-oleoylphosphatidylcholine

    6. 1-palmitoyl-2-oleoylphosphatidylcholine, (r)-(z)-isomer

    7. 1-palmotoyl-2-oleoylglycero-3-phosphocholine

    8. 1-popc

    9. Alpha-phosphatidylcholine-beta-oleoyl-gamma-palmitoyl

    10. Beta-oleoyl-gamma-palmitoyl-l-alpha-phosphatidylcholine

    11. Palmitoyloleoylphosphatidylcholine

    12. Popc Lipid

    2.2.2 Depositor-Supplied Synonyms

    1. Pc(16:0/18:1(9e))

    2. 1-hexadecanoyl-2-(9e-octadecenoyl)-sn-glycero-3-phosphocholine

    3. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine

    4. Chebi:178448

    5. Lmgp01010581

    6. [(2r)-3-hexadecanoyloxy-2-[(e)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl Phosphate

    7. (r,e)-2-(octadec-9-enoyloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

    8. 3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, Inner Salt, 4-oxide, [r-(e)]-

    2.3 Create Date
    2006-05-01
    3 Chemical and Physical Properties
    Molecular Weight 760.1 g/mol
    Molecular Formula C42H82NO8P
    XLogP313.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count41
    Exact Mass759.57780557 g/mol
    Monoisotopic Mass759.57780557 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count52
    Formal Charge0
    Complexity899
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1