CID 134812468

Chebi:142758

Structural Information

Molecular Formula
C27H51O11P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC=O
InChI
InChI=1S/C27H51O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(31)35-22-25(38-27(32)18-15-16-19-28)23-37-39(33,34)36-21-24(30)20-29/h19,24-25,29-30H,2-18,20-23H2,1H3,(H,33,34)/t24-,25+/m0/s1
InChIKey
QLZLSMOBIJWBNU-LOSJGSFVSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-oxopentanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.3169 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.32418 240.3
[M+Na]+ 605.30612 241.1
[M+NH4]+ 600.35072 246.2
[M+K]+ 621.28006 240.9
[M-H]- 581.30962 235.2
[M+Na-2H]- 603.29157 243.2
[M]+ 582.31635 239.6
[M]- 582.31745 239.6
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.