CID 91666391

N-palmitoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C39H76NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)46-35-37(41)36-48-49(44,45)47-34-33-40-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37,41H,3-16,19-36H2,1-2H3,(H,40,42)(H,44,45)/b18-17-/t37-/m1/s1
InChIKey
VSRSTHVWSWNJCC-OTMQOFQLSA-N
Compound name
[(2R)-3-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

717.5309 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.53818 278.4
[M+Na]+ 740.52012 280.4
[M-H]- 716.52362 269.5
[M+NH4]+ 735.56472 281.5
[M+K]+ 756.49406 282.0
[M+H-H2O]+ 700.52816 267.6
[M+HCOO]- 762.52910 277.6
[M+CH3COO]- 776.54475 282.7
[M+Na-2H]- 738.50557 256.6
[M]+ 717.53035 274.3
[M]- 717.53145 274.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.