CID 52929767

1-pentadecanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C18H37O7P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C18H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(20)24-15-17(19)16-25-26(21,22)23/h17,19H,2-16H2,1H3,(H2,21,22,23)/t17-/m1/s1
InChIKey
RZDCKQARKXMIQI-QGZVFWFLSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2277 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23498 198.3
[M+Na]+ 419.21692 200.9
[M-H]- 395.22042 191.2
[M+NH4]+ 414.26152 197.7
[M+K]+ 435.19086 195.3
[M+H-H2O]+ 379.22496 194.9
[M+HCOO]- 441.22590 207.2
[M+CH3COO]- 455.24155 216.1
[M+Na-2H]- 417.20237 184.5
[M]+ 396.22715 195.1
[M]- 396.22825 195.1
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

No patent data available for this compound.