CID 52929751

1-(9z-hexadecenoyl)-glycero-3-phosphate

Structural Information

Molecular Formula
C19H37O7P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-/t18-/m1/s1
InChIKey
GLGQZYWTNAOWHT-JTHGQSKGSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5
Patents

408.2277 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23498 199.6
[M+Na]+ 431.21692 202.7
[M-H]- 407.22042 193.0
[M+NH4]+ 426.26152 199.4
[M+K]+ 447.19086 197.1
[M+H-H2O]+ 391.22496 190.5
[M+HCOO]- 453.22590 209.0
[M+CH3COO]- 467.24155 217.6
[M+Na-2H]- 429.20237 186.0
[M]+ 408.22715 196.3
[M]- 408.22825 196.3
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