CID 53479577

Gpetn(15:0/20:4n3)

Structural Information

Molecular Formula
C40H72NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C40H72NO8P/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/h5,7,11,13,17-18,20-21,38H,3-4,6,8-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-/t38-/m1/s1
InChIKey
PNJZUQDFCCAMNB-DEDYATDTSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

725.4996 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.50688 272.3
[M+Na]+ 748.48882 276.9
[M+NH4]+ 743.53342 277.1
[M+K]+ 764.46276 277.0
[M-H]- 724.49232 264.7
[M+Na-2H]- 746.47427 273.1
[M]+ 725.49905 271.9
[M]- 725.50015 271.9
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.