CID 168680094

Chebi:197414

Structural Information

Molecular Formula
C42H83O10P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C42H83O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,47,48)/t39-,40-/m0/s1
InChIKey
RQOMICXLEUQNOU-ZAQUEYBZSA-N
Compound name
[(2S)-2-hydroxy-3-[hydroxy-[(2S)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

778.5724 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.57968 289.7
[M+Na]+ 801.56162 289.1
[M+NH4]+ 796.60622 294.6
[M+K]+ 817.53556 291.2
[M-H]- 777.56512 278.4
[M+Na-2H]- 799.54707 287.4
[M]+ 778.57185 287.4
[M]- 778.57295 287.4
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.