CID 446872

1-pentadecanoyl-2-eicosanoyl-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C40H80NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChIKey
NJGIRBISCGPRPF-KXQOOQHDSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

733.56213 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.56941 280.8
[M+Na]+ 756.55135 283.5
[M+NH4]+ 751.59595 285.7
[M+K]+ 772.52529 284.0
[M-H]- 732.55485 270.1
[M+Na-2H]- 754.53680 279.8
[M]+ 733.56158 279.1
[M]- 733.56268 279.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.