CID 52925255

Ps(15:0/18:1(9z))

Structural Information

Molecular Formula
C39H74NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C39H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,35-36H,3-16,19-34,40H2,1-2H3,(H,43,44)(H,45,46)/b18-17-/t35-,36+/m1/s1
InChIKey
KVBAVKWITJZQEG-ZKMUQLHUSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.505 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.51228 276.7
[M+Na]+ 770.49422 279.7
[M+NH4]+ 765.53882 283.5
[M+K]+ 786.46816 280.8
[M-H]- 746.49772 271.4
[M+Na-2H]- 768.47967 277.5
[M]+ 747.50445 276.7
[M]- 747.50555 276.7
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.