CID 52928885

Pa(17:2(9z,12z)/19:0)

Structural Information

Molecular Formula
C39H73O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)O
InChI
InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,37H,3-9,11,13-15,17,19-36H2,1-2H3,(H2,42,43,44)/b12-10-,18-16-/t37-/m1/s1
InChIKey
FFWDQPOOLWGNDF-FHJINMDNSA-N
Compound name
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

700.50433 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.51161 270.5
[M+Na]+ 723.49355 272.1
[M-H]- 699.49705 260.3
[M+NH4]+ 718.53815 274.9
[M+K]+ 739.46749 274.2
[M+H-H2O]+ 683.50159 260.8
[M+HCOO]- 745.50253 272.7
[M+CH3COO]- 759.51818 276.2
[M+Na-2H]- 721.47900 249.8
[M]+ 700.50378 268.6
[M]- 700.50488 268.6
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.