CID 52926025

Ps(15:0/13:0)

Structural Information

Molecular Formula
C34H66NO10P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-17-14-12-10-8-6-4-2/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1
InChIKey
LYPZYQRYDZXGGZ-JSOSNVBQSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-pentadecanoyloxy-2-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.44244 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.44972 263.0
[M+Na]+ 702.43166 265.6
[M-H]- 678.43516 259.6
[M+NH4]+ 697.47626 269.7
[M+K]+ 718.40560 265.7
[M+H-H2O]+ 662.43970 253.6
[M+HCOO]- 724.44064 258.3
[M+CH3COO]- 738.45629 274.2
[M+Na-2H]- 700.41711 243.8
[M]+ 679.44189 259.6
[M]- 679.44299 259.6
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.