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Chemistry

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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

POPC
PC(16:0/18:1(9Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

POPC

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

API Reference Price

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","customerCountry":"PHILIPPINES","quantity":"3400.00","actualQuantity":"3400","unit":"KGS","unitRateFc":"6.3","totalValueFC":"21107.7","currency":"USD","unitRateINR":517.47441176470591,"date":"31-May-2024","totalValueINR":"1759413","totalValueInUsd":"21107.7","indian_port":"Mundra-SEZ","hs_no":"29280090","bill_no":"4004664","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"PHILIPPINES","selfForZScoreResived":"Pharma Grade","supplierPort":"Mundra-SEZ","supplierAddress":"1, DORF KETAL TOWER, DMONTE, MUMBAI","customerAddress":""}]
21-Feb-2022
31-May-2024
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