CID 52925317

Ps(16:1(9z)/16:0)

Structural Information

Molecular Formula
C38H72NO10P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/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
YQBIRCWGTRXVEA-NUZFNMCPSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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

patents stripe