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FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 Europe

1 FDF Dossiers
1 Europe

Synopsis

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Chemistry

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Also known as: 27098-24-4, 1-stearoyl-2-linoleoylphosphatidylcholine, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, Pc(18:0/18:2(9z,12z)), Phosphatidylcholine(18:0/18:2w6), Phosphatidylcholine(36:2)

Molecular Formula

C₄₄H₈₄NO₈P

Molecular Weight

786.1 g/mol

InChI Key

FORFDCPQKJHEBF-VPUSDGANSA-N

PC(18:0/18:2(9Z,12Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

Phosphatidylcholine(18:0/18:2W6)

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

2.1.2 InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1

2.1.3 InChI Key

FORFDCPQKJHEBF-VPUSDGANSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1-stearoyl-(2-linoleoyl)-sn-glycero-3-phosphocholine

2. 1-stearoyl-2-linoleoylphosphatidylcholine

3. Slpc

4. Slptc

2.2.2 Depositor-Supplied Synonyms

1. 27098-24-4

2. 1-stearoyl-2-linoleoylphosphatidylcholine

3. 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine

4. Pc(18:0/18:2(9z,12z))

5. Phosphatidylcholine(18:0/18:2w6)

6. Phosphatidylcholine(36:2)

7. Gpcho(36:2)

8. Slpc

9. Phosphatidylcholine(18:0/18:2)

10. Gpcho(18:0/18:2)

11. Gpcho(18:0/18:2n6)

12. Gpcho(18:0/18:2w6)

13. Phosphatidylcholine(18:0/18:2n6)

14. [(2r)-2-[(9z,12z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl Phosphate

15. 1-18:0-2-18:2-phosphatidylcholine

16. Pc(18:0/18:2n6)

17. Pc(18:0/18:2w6)

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

19. 1-octadecanoyl-2-(9z,12z-octadecadienoyl)-sn-glycero-3-phosphocholine

20. 18:0-18:2-pc

21. 1-octadecanoyl-2-[(9z,12z)-octadecadienoyl]-sn-glycero-3-phosphocholine

22. Slptc

23. 1-stearoyl-2-linoleoyl-gpc

24. Schembl233018

25. 1-stearoyl-(2-linoleoyl)-sn-glycero-3-phosphocholine

26. Chebi:84822

27. Dtxsid001230503

28. Lmgp01010768

29. Gpc(18:0/18:2)

30. Hy-126359

31. Cs-0102946

32. 1-stearoyl-2-linoleoyl-gpc (18:0/18:2)

33. Q27105102

34. 1-steraoyl-2-linoleoyl-sn-glycero-3-phosphorylcholine

35. Liver Pc, L-alpha-phosphatidylcholine (liver, Bovine), Powder

36. 1-octadecanoyl-2-(9z,12z)-octadecadienoyl-sn-glycero-3-phosphocholine

37. 18:0-18:2 Pc, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, Powder

38. 18:0-18:2 Pc, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, Chloroform

39. (2r)-2-[(9z,12z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

40. (2r)-2-[(9z,12z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl Phosphate

41. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxo-9,12-octadecadienyl)oxy)-, Inner Salt, 4-oxide, (r-(z,z))-

42. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(9z,12z)-1-oxo-9,12-octadecadien-1-yl]oxy]-, Inner Salt, 4-oxide, (7r)-

43. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(9z,12z)-1-oxo-9,12-octadecadien-1-yl]oxy]-,innersalt,4-oxide,(7r)-

44. Trimethyl(2-{[2-[octadeca-9.12-dienoyloxy]-3-(octadecanoyloxy)propyl Phosphonato]oxy}ethyl)azanium

2.3 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₈₄NO₈P
Molecular Weight	786.1 g/mol
XLogP3	14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	42
Exact Mass	785.59345564 g/mol
Monoisotopic Mass	785.59345564 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	972
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1