CID 9547179

1-stearoyl-sn-glycero-3-phosphate

Structural Information

Molecular Formula
C21H43O7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
InChIKey
LAYXSTYJRSVXIH-HXUWFJFHSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

140
Patents

438.27463 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28191 212.1
[M+Na]+ 461.26385 214.1
[M+NH4]+ 456.30845 214.6
[M+K]+ 477.23779 211.1
[M-H]- 437.26735 203.3
[M+Na-2H]- 459.24930 215.7
[M]+ 438.27408 209.7
[M]- 438.27518 209.7
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