CID 131823270

Pg(a-13:0/18:2(9z,11z))

Structural Information

Molecular Formula
C37H69O10P
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C37H69O10P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-37(41)47-35(32-46-48(42,43)45-30-34(39)29-38)31-44-36(40)27-24-21-19-18-20-23-26-33(3)5-2/h10-13,33-35,38-39H,4-9,14-32H2,1-3H3,(H,42,43)/b11-10-,13-12-/t33?,34-,35+/m0/s1
InChIKey
LMKGFPWGPGBBHF-FVQFVYKESA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

704.4628 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.47008 269.1
[M+Na]+ 727.45202 269.8
[M+NH4]+ 722.49662 275.0
[M+K]+ 743.42596 270.9
[M-H]- 703.45552 262.3
[M+Na-2H]- 725.43747 269.6
[M]+ 704.46225 268.2
[M]- 704.46335 268.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.