CID 131819904

Chebi:185228

Structural Information

Molecular Formula
C52H102NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C52H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h48-49H,3-47,53H2,1-2H3,(H,56,57)(H,58,59)/t48-,49+/m1/s1
InChIKey
ZBWPBTOSXKZGAM-NNRGRWLXSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

931.7241 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 932.73138 319.3
[M+Na]+ 954.71332 318.9
[M-H]- 930.71682 309.2
[M+NH4]+ 949.75792 326.0
[M+K]+ 970.68726 326.5
[M+H-H2O]+ 914.72136 308.4
[M+HCOO]- 976.72230 307.7
[M+CH3COO]- 990.73795 320.0
[M+Na-2H]- 952.69877 293.3
[M]+ 931.72355 318.7
[M]- 931.72465 318.7
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.