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Chemistry

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Also known as: 51779-95-4, L-dierucoyl lecithin, Dierucoyllecithin, Depc, l-, Depc, r-, 1,2-di13-cis-docosenoyl-sn-glycero-3-phosphocholine
Molecular Formula
C52H100NO8P
Molecular Weight
898.3  g/mol
InChI Key
SDEURMLKLAEUAY-JFSPZUDSSA-N
FDA UNII
1Z951826B6

DEPC
1 2D Structure

DEPC

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
2.1.2 InChI
InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
2.1.3 InChI Key
SDEURMLKLAEUAY-JFSPZUDSSA-N
2.1.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC
2.1.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
2.2 Other Identifiers
2.2.1 UNII
1Z951826B6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,2-didocos-13-enoyl Phoshatidylcholine

2.3.2 Depositor-Supplied Synonyms

1. 51779-95-4

2. L-dierucoyl Lecithin

3. Dierucoyllecithin

4. Depc, L-

5. Depc, R-

6. 1,2-di13-cis-docosenoyl-sn-glycero-3-phosphocholine

7. 1,2-dierucoyl-phosphatidylcholine, R-

8. 1,2-dierucoyl-sn-glycerol-3-phosphorylcholine

9. Pc(22:1/22:1)

10. Dierucoyl-l-a-glycerophosphorylcholine

11. 1,2-di-(13z-docosenoyl)-sn-glycero-3-phosphocholine

12. Pc(22:1(13z)/22:1(13z))

13. 1z951826b6

14. 1,2-dierucoyl-sn-glycero-3-phosphatidylcholine

15. [(2r)-2,3-bis[[(z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl Phosphate

16. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-(((13z)-1-oxo-13-docosen-1-yl)oxy)-, Inner Salt, 4-oxide, (7r,22z)-

17. Dierucoylphosphatidylcholine

18. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(13z)-1-oxo-13-docosen-1-yl]oxy]-, Inner Salt, 4-oxide, (7r,22z)-

19. Unii-1z951826b6

20. Dierucoyl Phosphatidylcholine

21. Schembl178155

22. 22:1 (cis) Pc

23. Dtxsid401345798

24. Phosphatidylcholine(22:1/22:1)

25. 76420-81-0

26. Bca77995

27. Gpcho(22:1/22:1)

28. Gpcho(22:1n9/22:1n9)

29. Gpcho(22:1w9/22:1w9)

30. Lmgp01011110

31. Mfcd00674315

32. Hy-w127499

33. Pc(22:1n9/22:1n9)

34. Pc(22:1w9/22:1w9)

35. Phosphatidylcholine(22:1n9/22:1n9)

36. Phosphatidylcholine(22:1w9/22:1w9)

37. 1,2-didocos-13-enoyl Phoshatidylcholine

38. Bp-26302

39. 1,2-dierucoyl-rac-glycero-3-phosphocholine

40. Dierucoyl-l-.alpha.-glycerophosphorylcholine

41. Cs-0185727

42. D5319

43. T70993

44. Q27253299

45. 1,2-dierucoyl-sn-glycero-3-phosphocholine, >=98.0% (tlc)

46. 22:1 (cis) Pc, 1,2-dierucoyl-sn-glycero-3-phosphocholine, Powder

47. (r)-2,3-bis(erucoyloxy)propyl [2-(trimethylammonio)ethyl] Phosphate

48. 1,2-dierucoyl-sn-glycero-3-phosphocholine Pound>>1,2-di(cis-13-docosenoyl)-sn-glycero-3-phosphocholine

49. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxo-13-docosenyl)oxy)-, Hydroxide, Inner Salt, 4-oxide, (r)-

50. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[(1-oxo-13-docosenyl)oxy]-, Inner Salt, 4-oxide, [r-(z,z)]-

51. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium,4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(13z)-1-oxo-13-docosen-1-yl]oxy]-,innersalt,4-oxide,(7r,22z)-

2.3.3 Other Synonyms

1. Depc

2. Depc Api

2.4 Create Date
2008-05-14
3 Chemical and Physical Properties
Molecular Weight 898.3 g/mol
Molecular Formula C52H100NO8P
XLogP318.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count50
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area111
Heavy Atom Count62
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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