CID 10029397

1-stearoylglycerophosphoglycerol

Structural Information

Molecular Formula
C24H49O9P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O
InChI
InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)
InChIKey
HFJVKBVEKQHVTO-UHFFFAOYSA-N
Compound name
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

512.3114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.318676 226.2
[M+Na]+ 535.300618 226.0
[M-H]- 511.304124 218.9
[M+NH4]+ 530.345223 226.0
[M+K]+ 551.274558 223.3
[M+H-H2O]+ 495.308660 215.7
[M+HCOO]- 557.309601 228.3
[M+CH3COO]- 571.325251 236.1
[M+Na-2H]- 533.286066 208.4
[M]+ 512.31085142 222.1
[M]- 512.31194858 222.1
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