CID 53479736

Gpetn(20:2/24:0)

Structural Information

Molecular Formula
C49H94NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47H,3-11,13,15-17,19,21-46,50H2,1-2H3,(H,53,54)/b14-12-,20-18-/t47-/m1/s1
InChIKey
BVWWSZDYCRTKCY-YVQAKMNISA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

855.6717 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 856.67898 305.5
[M+Na]+ 878.66092 308.3
[M+NH4]+ 873.70552 310.1
[M+K]+ 894.63486 310.4
[M-H]- 854.66442 293.4
[M+Na-2H]- 876.64637 302.6
[M]+ 855.67115 303.8
[M]- 855.67225 303.8
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.