CID 52926722

Pg(19:0/15:1(9z))

Structural Information

Molecular Formula
C40H77O10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h12,14,37-38,41-42H,3-11,13,15-36H2,1-2H3,(H,45,46)/b14-12-/t37-,38+/m0/s1
InChIKey
YIQBSYSBVXVBAC-JYMHUOGFSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.52545 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.53273 282.0
[M+Na]+ 771.51467 281.2
[M-H]- 747.51817 272.8
[M+NH4]+ 766.55927 286.8
[M+K]+ 787.48861 284.6
[M+H-H2O]+ 731.52271 271.7
[M+HCOO]- 793.52365 278.5
[M+CH3COO]- 807.53930 281.9
[M+Na-2H]- 769.50012 259.3
[M]+ 748.52490 280.7
[M]- 748.52600 280.7
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.