CID 44575057

1-heptadecanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C20H41O7P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C20H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h19,21H,2-18H2,1H3,(H2,23,24,25)/t19-/m1/s1
InChIKey
AXKVUJMUBAXXKG-LJQANCHMSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

424.259 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26628 205.7
[M+Na]+ 447.24822 208.0
[M-H]- 423.25172 197.8
[M+NH4]+ 442.29282 205.0
[M+K]+ 463.22216 203.2
[M+H-H2O]+ 407.25626 196.3
[M+HCOO]- 469.25720 213.7
[M+CH3COO]- 483.27285 222.0
[M+Na-2H]- 445.23367 191.0
[M]+ 424.25845 202.4
[M]- 424.25955 202.4
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