CID 131819693

Ps(18:1(11z)/14:0)

Structural Information

Molecular Formula
C38H72NO10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,34-35H,3-12,14,16-33,39H2,1-2H3,(H,42,43)(H,44,45)/b15-13-/t34-,35+/m1/s1
InChIKey
NEAKGADOSSEPBF-NUZFNMCPSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

733.4894 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.49668 273.4
[M+Na]+ 756.47862 276.5
[M+NH4]+ 751.52322 280.2
[M+K]+ 772.45256 277.4
[M-H]- 732.48212 268.4
[M+Na-2H]- 754.46407 274.5
[M]+ 733.48885 273.5
[M]- 733.48995 273.5
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

No patent data available for this compound.