CID 91666393

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

Structural Information

Molecular Formula
C41H80NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)42-35-36-49-51(46,47)50-38-39(43)37-48-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39,43H,3-17,19,21-38H2,1-2H3,(H,42,44)(H,46,47)/b20-18-/t39-/m1/s1
InChIKey
LIPZZWCCANYPKE-DJEJVYNPSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[2-(octadecanoylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

745.56213 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.56941 284.9
[M+Na]+ 768.55135 286.5
[M-H]- 744.55485 275.2
[M+NH4]+ 763.59595 287.9
[M+K]+ 784.52529 288.9
[M+H-H2O]+ 728.55939 273.8
[M+HCOO]- 790.56033 283.3
[M+CH3COO]- 804.57598 288.0
[M+Na-2H]- 766.53680 262.3
[M]+ 745.56158 281.0
[M]- 745.56268 281.0
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.