CID 137323952

1-(2-methoxy-6z-octadecenyl)-sn-glycero-3-phosphoserine

Structural Information

Molecular Formula
C25H50NO9P
SMILES
CCCCCCCCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC
InChI
InChI=1S/C25H50NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32-2)20-33-18-22(27)19-34-36(30,31)35-21-24(26)25(28)29/h13-14,22-24,27H,3-12,15-21,26H2,1-2H3,(H,28,29)(H,30,31)/b14-13-/t22-,23?,24+/m1/s1
InChIKey
ZBMOVTXRLZMVEF-WZVZHPRESA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyoctadec-6-enoxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.3223 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.32958 229.0
[M+Na]+ 562.31152 231.6
[M-H]- 538.31502 225.7
[M+NH4]+ 557.35612 231.0
[M+K]+ 578.28546 228.1
[M+H-H2O]+ 522.31956 218.7
[M+HCOO]- 584.32050 228.0
[M+CH3COO]- 598.33615 246.1
[M+Na-2H]- 560.29697 212.2
[M]+ 539.32175 223.1
[M]- 539.32285 223.1
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.