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    POPC

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 6Xls

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    2D Structure
    Also known as: 26853-31-6, Popc, Palmitoyloleoylphosphatidylcholine, Pc(16:0/18:1(9z)), [(2r)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 1-hexadecanoyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine
    Molecular Formula
    C42H82NO8P
    Molecular Weight
    760.1  g/mol
    InChI Key
    WTJKGGKOPKCXLL-VYOBOKEXSA-N
    FDA UNII
    TE895536Y5
    PC(16:0/18:1(9Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-3-hexadecanoyloxy-2-[(Z)-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-VYOBOKEXSA-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 Other Identifiers
    2.2.1 UNII
    TE895536Y5
    2.3 Synonyms
    2.3.1 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-oleoylphosphatidylcholine

    5. 1-palmitoyl-2-oleoylphosphatidylcholine, (r)-(z)-isomer

    6. 1-palmotoyl-2-oleoylglycero-3-phosphocholine

    7. 1-popc

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

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

    10. Palmitoyloleoylphosphatidylcholine

    11. Popc Lipid

    2.3.2 Depositor-Supplied Synonyms

    1. 26853-31-6

    2. Popc

    3. Palmitoyloleoylphosphatidylcholine

    4. Pc(16:0/18:1(9z))

    5. [(2r)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl Phosphate

    6. 1-hexadecanoyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine

    7. 1-palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine

    8. Gpcho(34:1)

    9. Pc(16:0/18:1w9)

    10. Phosphatidylcholine(16:0/18:1)

    11. Te895536y5

    12. 1-16:0-2-18:1-phosphatidylcholine

    13. 1-palmitoyl-2-oleoyl-sn-glycero-3-pc

    14. 16:0-18:1-pc

    15. (r,z)-2-(oleoyloxy)-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) Phosphate

    16. (r)-(z)-(4-oxido-9-oxo-7-(palmitoylmethyl)-3,5,8-trioxa-4-phosphahexacos-17-enyl)trimethylammonium 4-oxide

    17. 2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine

    18. 1-popc

    19. Pc 34:1

    20. (r,z)-2-(oleoyloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

    21. [3-hexadecanoyloxy-2-[(e)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl Phosphate

    22. (2r)-3-(hexadecanoyloxy)-2-{[(9z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl Phosphate

    23. 1-palmitoyl-2-oleoyl-lecithin

    24. Unii-te895536y5

    25. Ptd-cho

    26. L-b-oleoyl-g-palmitoyl-a-lecithin

    27. Einecs 248-056-7

    28. 70778-75-5

    29. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine

    30. 1-palmitoyl-2-oleoyl-gpc

    31. Schembl45162

    32. Chebi:73001

    33. Gpcho(16:0/18:1omega9)

    34. Pc(16:0/18:1omega9)

    35. Dtxsid101029642

    36. Cmc_12041

    37. Cmc_12042

    38. Lmgp01010005

    39. Mfcd00077387

    40. 1-palmitoyl-2-oleoyl-l-alpha-lecithin

    41. 2-oleoyl-1-palmitoylphosphatidylcholine

    42. L-a-phosphatidylcholine (egg, Chicken)

    43. 1-palmitoyl-2-oleoyl-phosphatidylcholine

    44. Phosphatidylcholine(16:0/18:1omega9)

    45. 1-palmitoyl-2-oleoyl-sn-3-phosphocholine

    46. As-67722

    47. Bp-26319

    48. Bp-26332

    49. Phosphatidylcholine (1-16:0-2-18:1)

    50. Gpc(16:0/18:1)

    51. Hy-130462

    52. Cs-0108058

    53. 1-palmitoyl-2-oleoyl-3-sn-phosphatidylcholine

    54. 1-palmitoyl-2-oleoyl-gpc (16:0/18:1)

    55. 1-palmitoyl-2-oleyl-3-sn-phosphatidylcholine

    56. 1-palmitoyl-2-oleoyl-sn-glycero-phosphocholine

    57. 16:0-18:1 Pc

    58. 3-sn-phosphatidylcholine, 2-oleoyl-1-palmitoyl

    59. L-alpha-1-palmitoyl-2-oleoylphosphatidylcholine

    60. 1-palmitoyl-2-oleoyl-l-alpha-phosphatidylcholine

    61. A905125

    62. 1-hexadecanoyl-2-oleoyl-sn-glycero-3-phosphocholine

    63. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphorylcholine

    64. 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine

    65. 1-palmitoyl-2-oleoyl-sn-glyceryl-3-phosphorylcholine

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

    67. Q10860475

    68. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (popc)

    69. 1-palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylcholine

    70. Egg Pc, L-alpha-phosphatidylcholine (egg, Chicken), Powder

    71. Brain Pc, L-alpha-phosphatidylcholine (brain, Porcine), Powder

    72. 1-hexadecanoyl-2-(cis-9-octadecenoyl)-sn-glycero-3-phosphocholine

    73. Brain Pc, L-alpha-phosphatidylcholine (brain, Porcine), Chloroform

    74. 16:0-18:1 Pc, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Powder

    75. (2r)-2-[(9z)-9-octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

    76. (r)-2-(oleoyloxy)-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) Phosphate

    77. (r,z)-2-(oleoyloxy)-3-(palmitoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate

    78. 16:0-18:1 Pc, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Chloroform

    79. (2-{[(2r)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl Phosphonato]oxy}ethyl)trimethylazanium

    80. 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (main Component Of Egg Phosphatidylcholines / Epc, Cas 97281-44-2)

    81. 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, (7r,17z)-

    82. 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, (7r,17z)- 3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy

    83. 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-(z)]-

    84. Choline, Hydroxide, Dihydrogen Phosphate, Inner Salt, Ester With 1-palmito-2-olein, L- (8ci)

    85. Ethanaminium, 2-[[hydroxy[[(2r)-3-[(1-oxohexadecyl)oxy]-2-[[(9z)-1-oxo-9-octadecenyl]oxy]propyl]oxy]phosphinyl]oxy]-n,n,n-trimethyl-, Inner Salt

    2.4 Create Date
    2005-06-08
    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