Also known as: 1069-79-0, Dspe, 1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine, (r)-1,2-distearoylphosphatidylethanolamine, L-beta,gamm, Distearoyl phosphatidylethanolamine

Molecular Formula

C₄₁H₈₂NO₈P

Molecular Weight

748.1 g/mol

InChI Key

LVNGJLRDBYCPGB-LDLOPFEMSA-N

FDA UNII

1G4B5265CQ

PE(18:0/18:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

2.1.2 InChI

InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1

2.1.3 InChI Key

LVNGJLRDBYCPGB-LDLOPFEMSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

1G4B5265CQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine

2. 1,2-distearoylphosphatidylethanolamine

3. 1,2-distearoylphosphatidylethanolamine, (+-)-isomer

4. 1,2-distearoylphosphatidylethanolamine, (r)-isomer

5. 1,2-distearoylphosphatidylethanolamine, (s)-isomer

6. Dc18pe

7. Distearoyl-l-phosphatidylethanolamine

8. Dspe

2.3.2 Depositor-Supplied Synonyms

1. 1069-79-0

2. Dspe

3. 1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine

4. (r)-1,2-distearoylphosphatidylethanolamine

5. L-beta,gamm

6. Distearoyl Phosphatidylethanolamine

7. Pe(18:0/18:0)

8. 1,2-distearoyl-sn-glycero-3-phosphorylethanolamine

9. (2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl Distearate

10. 1g4b5265cq

11. L-alpha-distearoylphosphatidylethanolamine

12. 1,2-distearoyl-sn-glycerophosphoethanolamine

13. [(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] Octadecanoate

14. Stearin, 1,2-di-, 2-aminoethyl Hydrogen Phosphate, L-

15. Octadecanoic Acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl Ester, (r)-

16. Unii-1g4b5265cq

17. Mfcd00036777

18. Einecs 213-963-9

19. 1,2-distearoyl-rac-glycero-3-phosphoethanolamine

20. Distearoyl Cephalin

21. Dspe, L-

22. Dspe, R-

23. Schembl25605

24. 1,2-dspe

25. Chebi:47766

26. Dtxsid601240990

27. Bcp11133

28. Lmgp02010097

29. Zinc32837870

30. Akos027322756

31. Gs-6360

32. (r)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethane-1,2-diyl Distearate

33. 1,2-distearoyl-sn-glycero-3-phosphoethan

34. Bp-23601

35. Db-027519

36. Hy-112530

37. Cs-0046318

38. D4214

39. H10394

40. 1,2-distearoyl L-

41. A,

42. A-distearoyl-

43. A-cephalin

44. 069d790

45. J-001683

46. 1,2-distearoyl-sn-glycero-3-phosphatidylethanolamine

47. Q60533035

48. 1,2-distearoyl-sn-glycero-3-phosphoethanolamine, >=99%

49. 2-aminoethyl (r)-2,3-bis(octadecanoyloxy)propyl Hydrogen Phosphate

50. (2-aminoethoxy)[(2r)-2,3-bis(octadecanoyloxy)propoxy]phosphinic Acid

51. (2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyldistearate

52. (2r)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl Dioctadecanoate

53. 3-sn-phosphatidylethanolamine; 1,2-diacyl-sn-glycero-3-phosphoethanolamine

54. (2r)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl Octadecanoate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₄₁H₈₂NO₈P
Molecular Weight	748.1 g/mol
XLogP3	12.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	43
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	134
Heavy Atom Count	51
Formal Charge	0
Complexity	815
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

DSPE

DSPE

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