CID 91666428

N-stearoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C59H112NO9P
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C59H112NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)60-52-53-67-70(64,65)68-55-56(69-59(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-66-58(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,56H,4-25,28,31-55H2,1-3H3,(H,60,61)(H,64,65)/b29-26-,30-27-/t56-/m1/s1
InChIKey
GNAPJEPSPJZGSJ-WJOAKYJCSA-N
Compound name
[(2R)-3-[hydroxy-[2-(octadecanoylamino)ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1009.8075 Da
Monoisotopic Mass

21.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1010.8148 342.4
[M+Na]+ 1032.7967 344.0
[M+NH4]+ 1027.8413 348.2
[M+K]+ 1048.7707 348.1
[M-H]- 1008.8002 329.2
[M+Na-2H]- 1030.7822 336.7
[M]+ 1009.8070 340.9
[M]- 1009.8080 340.9
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.