CID 52929100

Pa(19:1(9z)/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C44H77O8P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H77O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,27,29,42H,3-10,12,14-16,18,21,25-26,28,30-41H2,1-2H3,(H2,47,48,49)/b13-11-,19-17-,23-22-,24-20-,29-27-/t42-/m1/s1
InChIKey
LZMMHVBORAFWAJ-BUMATNHDSA-N
Compound name
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.5356 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.54288 280.8
[M+Na]+ 787.52482 283.4
[M-H]- 763.52832 271.2
[M+NH4]+ 782.56942 286.1
[M+K]+ 803.49876 286.2
[M+H-H2O]+ 747.53286 270.8
[M+HCOO]- 809.53380 283.6
[M+CH3COO]- 823.54945 285.9
[M+Na-2H]- 785.51027 259.7
[M]+ 764.53505 278.8
[M]- 764.53615 278.8
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.