CID 134812504

Pg-pa

Structural Information

Molecular Formula
C24H45O10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)O
InChI
InChI=1S/C24H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(27)32-19-21(20-33-35(29,30)31)34-24(28)18-15-16-22(25)26/h21H,2-20H2,1H3,(H,25,26)(H2,29,30,31)/t21-/m1/s1
InChIKey
VTNGUBNJWZUCLT-OAQYLSRUSA-N
Compound name
5-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

524.275 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.28228 226.8
[M+Na]+ 547.26422 228.8
[M-H]- 523.26772 223.7
[M+NH4]+ 542.30882 232.0
[M+K]+ 563.23816 225.7
[M+H-H2O]+ 507.27226 218.4
[M+HCOO]- 569.27320 229.8
[M+CH3COO]- 583.28885 238.9
[M+Na-2H]- 545.24967 211.0
[M]+ 524.27445 224.6
[M]- 524.27555 224.6
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

patents stripe