CID 52926514

Pg(17:1(9z)/13:0)

Structural Information

Molecular Formula
C36H69O10P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C36H69O10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-35(39)43-31-34(32-45-47(41,42)44-30-33(38)29-37)46-36(40)28-26-24-22-19-14-12-10-8-6-4-2/h15-16,33-34,37-38H,3-14,17-32H2,1-2H3,(H,41,42)/b16-15-/t33-,34+/m0/s1
InChIKey
VLXZKCUECOSGPY-WYRVCTHCSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.4628 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.47008 268.8
[M+Na]+ 715.45202 268.7
[M-H]- 691.45552 261.2
[M+NH4]+ 710.49662 273.7
[M+K]+ 731.42596 270.4
[M+H-H2O]+ 675.46006 259.0
[M+HCOO]- 737.46100 266.9
[M+CH3COO]- 751.47665 271.3
[M+Na-2H]- 713.43747 247.7
[M]+ 692.46225 267.1
[M]- 692.46335 267.1
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.