CID 137323955

1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C27H56NO9P
SMILES
CCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C27H56NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(34-2)22-35-20-24(29)21-36-38(32,33)37-23-26(28)27(30)31/h24-26,29H,3-23,28H2,1-2H3,(H,30,31)(H,32,33)/t24-,25?,26+/m1/s1
InChIKey
ATNQRUHZINXRNA-ITNFAHLUSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxyicosoxy)propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.36926 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.37654 238.4
[M+Na]+ 592.35848 240.0
[M-H]- 568.36198 233.5
[M+NH4]+ 587.40308 240.0
[M+K]+ 608.33242 237.8
[M+H-H2O]+ 552.36652 227.8
[M+HCOO]- 614.36746 235.7
[M+CH3COO]- 628.38311 253.0
[M+Na-2H]- 590.34393 220.2
[M]+ 569.36871 232.8
[M]- 569.36981 232.8
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

No patent data available for this compound.