CID 9547169

1,2-ditetradecanoyl-sn-glycerol-3-phosphate(2-)

Structural Information

Molecular Formula
C31H61O8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
OZSITQMWYBNPMW-GDLZYMKVSA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

4827
Patents

592.4104 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41768 249.2
[M+Na]+ 615.39962 250.2
[M+NH4]+ 610.44422 253.4
[M+K]+ 631.37356 249.5
[M-H]- 591.40312 239.2
[M+Na-2H]- 613.38507 250.2
[M]+ 592.40985 247.0
[M]- 592.41095 247.0
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

patents stripe