CID 440127

Stearoylglycerone phosphate

Structural Information

Molecular Formula
C21H41O7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H41O7P/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/h2-19H2,1H3,(H2,24,25,26)
InChIKey
GTPATKZCXDKGQS-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

436.259 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.266276 207.9
[M+Na]+ 459.248218 211.6
[M-H]- 435.251724 200.8
[M+NH4]+ 454.292823 209.9
[M+K]+ 475.222158 206.9
[M+H-H2O]+ 419.256260 199.7
[M+HCOO]- 481.257201 218.1
[M+CH3COO]- 495.272851 226.4
[M+Na-2H]- 457.233666 194.1
[M]+ 436.25845142 205.9
[M]- 436.25954858 205.9
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