CID 91666411

1-(9z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C41H73O7P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H73O7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,40H,3-10,12,14-16,21,23,25-27,29,31-39H2,1-2H3,(H2,43,44,45)/b13-11-,19-17-,20-18-,24-22-,30-28-/t40-/m1/s1
InChIKey
XXNDXYPDJRWJNS-WQOZCSOVSA-N
Compound name
[(2R)-1-[(Z)-octadec-9-enoxy]-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

708.5094 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.51668 271.3
[M+Na]+ 731.49862 273.6
[M+NH4]+ 726.54322 273.7
[M+K]+ 747.47256 273.9
[M-H]- 707.50212 259.4
[M+Na-2H]- 729.48407 270.4
[M]+ 708.50885 269.0
[M]- 708.50995 269.0
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.