CID 52926302

1-octadecyl-glycero-3-phosphoserine

Structural Information

Molecular Formula
C24H50NO8P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C24H50NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19-22(26)20-32-34(29,30)33-21-23(25)24(27)28/h22-23,26H,2-21,25H2,1H3,(H,27,28)(H,29,30)/t22-,23+/m1/s1
InChIKey
LLZPQHOZAQNDCM-PKTZIBPZSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecoxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

511.3274 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.33468 225.0
[M+Na]+ 534.31662 227.2
[M-H]- 510.32012 219.2
[M+NH4]+ 529.36122 224.4
[M+K]+ 550.29056 223.3
[M+H-H2O]+ 494.32466 214.1
[M+HCOO]- 556.32560 226.0
[M+CH3COO]- 570.34125 241.8
[M+Na-2H]- 532.30207 207.9
[M]+ 511.32685 218.6
[M]- 511.32795 218.6
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